Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | POLQ | O75417 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2378822 | 0.84 | AKR1B1 (0.53) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL11095578 | 0.84 | NPSR1 (0.42) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL14378219 | 0.83 | AKR1B1 (0.49) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL2879992 | 0.81 | AKR1B1 (0.50) | NPSR1AKR1B1IDO1POLQALDH1A1 | |
| SCHEMBL31405344 | 0.81 | IDO1 (0.52) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL31405393 | 0.81 | AKR1B1 (0.50) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL2880348 | 0.81 | AKR1B1 (0.50) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL514294 | 0.81 | AKR1B1 (0.50) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL270629 | 0.81 | AKR1B1 (0.50) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 | |
| SCHEMBL3517919 | 0.81 | IDO1 (0.52) | NPSR1AKR1B1IDO1SLC6A2SLC6A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 75 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663958-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2015-02-25 | — | — | EP | claimed |
| US-7662849-B2 | Amidino compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-02-16 | — | — | US | claimed |
| US-7547701-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-06-16 | — | — | US | claimed |
| US-20090023781-A1 | Haloalkyl Containing Compounds as Cysteine Protease Inhibitors | VIROBAY, INC. (US) | 2009-01-22 | — | — | US | claimed |
| JP-2007505920-A | — | — | 2007-03-15 | — | — | JP | claimed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | claimed |
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | US | claimed |
| JP-2006526657-A | — | — | 2006-11-24 | — | — | JP | claimed |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2006-11-23 | — | — | US | claimed |
| EP-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | claimed |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-08-18 | — | — | US | claimed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | claimed |
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | claimed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | claimed |
| US-20030232864-A1 | Novel Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-12-18 | — | — | US | claimed |
| US-6576630-B1 | Alkanoyl substituted benzooxazoles or naphthooxazoles | AXYS PHARMACEUTICALS, INC. | 2003-06-10 | — | — | US | claimed |
| JP-2002539201-A | — | — | 2002-11-19 | — | — | JP | claimed |
| EP-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | claimed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | claimed |
| WO-2023210623-A1 | HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME | 株式会社エス・ディー・エス バイオテック | 2023-11-02 | — | — | WO | disclosed |
| WO-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |
| EP-1663958-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2015-02-25 | — | — | EP | disclosed |
| WO-2014184071-A1 | MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES | SYNGENTA LIMITED (GB) | 2014-11-20 | — | — | WO | disclosed |
| WO-2014184070-A1 | MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES | SYNGENTA LIMITED (GB) | 2014-11-20 | — | — | WO | disclosed |
| EP-1866277-B1 | SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2014-06-25 | — | — | EP | disclosed |
| US-8680152-B2 | Cathepsin inhibitors for the treatment of bone cancer and bone cancer pain | VIROBAY, INC. (US) | 2014-03-25 | — | — | US | disclosed |
| US-8450373-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| EP-1865940-B1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-02-13 | — | — | EP | disclosed |
| WO-2012151319-A1 | CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN | VIROBAY, INC. (US) | 2012-11-08 | — | — | WO | disclosed |
| US-20120282267-A1 | CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN | VIROBAY, INC. (US) | 2012-11-08 | — | — | US | disclosed |
| EP-2511257-A2 | Alpha ketoamide compounds as cysteine protease inhibitors | ViroBay, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| US-20120190714-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | APPLERA CORPORATION (US) | 2012-07-26 | — | — | US | disclosed |
| EP-2420493-A1 | HALOALKYLSULFONANILIDE DERIVATIVE | Nissan Chemical Industries, Ltd. (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-20120029187-A1 | HALOALKYLSULFONANILIDE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-02-02 | — | — | US | disclosed |
| US-8013186-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| US-8013183-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2336104-A1 | ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE | Nissan Chemical Industries, Ltd. (JP) | 2011-06-22 | — | — | EP | disclosed |
| US-20100305331-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-7737300-B2 | Processes and intermediates preparing cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-06-15 | — | — | US | disclosed |
| US-7696250-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| US-7662849-B2 | Amidino compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-02-16 | — | — | US | disclosed |
| US-20090170909-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-07-02 | — | — | US | disclosed |
| US-7547701-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-7488848-B2 | Alpha ketoamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-02-10 | — | — | US | disclosed |
| US-20090023781-A1 | Haloalkyl Containing Compounds as Cysteine Protease Inhibitors | VIROBAY, INC. (US) | 2009-01-22 | — | — | US | disclosed |
| US-20080287446-A1 | Sulfonyl Containing Compounds as Cysteine Protease Inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2008-11-20 | — | — | US | disclosed |
| US-20080114175-A1 | Processes and Intermediates Preparing Cysteine Protease Inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2008-05-15 | — | — | US | disclosed |
| EP-1817275-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering Aktiengesellschaft (DE) | 2007-08-15 | — | — | EP | disclosed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | US | disclosed |
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | US | disclosed |
| US-20070021353-A1 | Alpha ketoamide compounds as cysteine protease inhibitors | APPLERA CORPORATION (US) | 2007-01-25 | — | — | US | disclosed |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2006-11-23 | — | — | US | disclosed |
| US-7101880-B2 | Peptidic compounds as cysteine protease inhibitors | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-09-05 | — | — | US | disclosed |
| EP-1694357-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2006-08-30 | — | — | EP | disclosed |
| US-7091360-B2 | Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof | AVENTIS PHARMA S.A. (US) | 2006-08-15 | — | — | US | disclosed |
| US-20060135781-A1 | Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof | AVENTIS PHARMACEUTICALS, INC. | 2006-06-22 | — | — | US | disclosed |
| WO-2006060494-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-08 | — | — | WO | disclosed |
| EP-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| EP-1495007-A4 | PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES | AXYS PHARM INC (US) | 2006-05-03 | — | — | EP | disclosed |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-08-18 | — | — | US | disclosed |
| WO-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |
| EP-1495007-A1 | PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES | AXYS PHARMACEUTICALS, INC. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040127426-A1 | Peptidic compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2004-07-01 | — | — | US | disclosed |
| US-20040019218-A1 | Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof | AXYS PHARMACEUTICALS, INC. | 2004-01-29 | — | — | US | disclosed |
| EP-1383748-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-28 | — | — | EP | disclosed |
| US-20030232864-A1 | Novel Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-12-18 | — | — | US | disclosed |
| WO-2003087068-A1 | PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES | AXYS PHARMACEUTICALS, INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| US-6576630-B1 | Alkanoyl substituted benzooxazoles or naphthooxazoles | AXYS PHARMACEUTICALS, INC. | 2003-06-10 | — | — | US | disclosed |
| WO-2002051983-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | WO | disclosed |
| EP-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120190714-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSS, CTSF, CTSB | NPSR1 1850/4885AKR1B1 188/4885IDO1 2719/4885 |
| US-20080287446-A1 | Sulfonyl Containing Compounds as Cysteine Protease Inhibitors | CTSS, CTSF, CTSB | NPSR1 2007/4885AKR1B1 1478/4885IDO1 4285/4885 |
| US-20090170909-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSS, CTSF, CTSB | NPSR1 1850/4885AKR1B1 188/4885IDO1 2719/4885 |
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | CTSS, CTSB, CTSE | NPSR1 586/4885AKR1B1 3774/4885IDO1 3719/4885 |
| US-20070021353-A1 | Alpha ketoamide compounds as cysteine protease inhibitors | CTSS, CTSF, CTSB | NPSR1 1850/4885AKR1B1 188/4885IDO1 2719/4885 |
| US-20090023781-A1 | Haloalkyl Containing Compounds as Cysteine Protease Inhibitors | CTSF, CTSS, CTSE | NPSR1 2386/4885AKR1B1 1401/4885IDO1 3748/4885 |
| US-20040019218-A1 | Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof | SPINT2, CTSV, CTSZ | NPSR1 2288/4885AKR1B1 1141/4885IDO1 1871/4885 |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | CTSF, CTSB, CTSS | NPSR1 1892/4885AKR1B1 1268/4885IDO1 3217/4885 |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | CTSF, CTSS, CTSE | NPSR1 2386/4885AKR1B1 1401/4885IDO1 3748/4885 |
| US-20120029187-A1 | HALOALKYLSULFONANILIDE DERIVATIVE | CBR3, CBR1, HDHD5 | NPSR1 454/4885AKR1B1 752/4885IDO1 2656/4885 |
| US-20060135781-A1 | Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof | SPINT2, CTSV, CTSZ | NPSR1 2288/4885AKR1B1 1141/4885IDO1 1871/4885 |
| US-20080114175-A1 | Processes and Intermediates Preparing Cysteine Protease Inhibitors | SPINT2, PREP, CPN1 | NPSR1 3414/4885AKR1B1 2311/4885IDO1 2834/4885 |
| US-20120282267-A1 | CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN | CTSS, CTSB, CTSK | NPSR1 700/4885AKR1B1 2523/4885IDO1 3621/4885 |
| US-20100305331-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSS, CTSF, CTSB | NPSR1 1850/4885AKR1B1 188/4885IDO1 2719/4885 |
| US-20030232864-A1 | Novel Compounds and compositions as protease inhibitors | SERPINB1, CTRL, CTSZ | NPSR1 1839/4885AKR1B1 2278/4885IDO1 1339/4885 |
| US-20040127426-A1 | Peptidic compounds as cysteine protease inhibitors | CTSF, CTSB, CTSS | NPSR1 1215/4885AKR1B1 2144/4885IDO1 3605/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.