Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.30 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12800457 | 1.00 | IDO1 (0.34) | IDO1TDO2CXCR2CXCR1HDAC3 | |
| SCHEMBL1272882 | 1.00 | IDO1 (0.34) | IDO1TDO2CXCR2CXCR1HDAC3 | |
| SCHEMBL1272889 | 0.86 | POLB (0.36) | IDO1TDO2CXCR2CXCR1 | |
| SCHEMBL1273035 | 0.85 | NPSR1 (0.39) | CXCR2SCN1ASCN5ASCN8A | |
| SCHEMBL1273034 | 0.85 | NPSR1 (0.39) | CXCR2SCN1ASCN5ASCN8A | |
| SCHEMBL12800458 | 0.85 | NPSR1 (0.39) | CXCR2SCN1ASCN5ASCN8A | |
| SCHEMBL1508516 | 0.84 | GABBR2 (0.36) | IDO1TDO2CXCR2CXCR1 | |
| SCHEMBL16098573 | 0.84 | CA2 (0.37) | CXCR2CXCR1 | |
| Ammonia Solution, Strong SCHEMBL29119873 | 0.84 | NPSR1 (0.38) | CXCR2SCN1ASCN5ASCN8A | |
| SCHEMBL21831821 | 0.81 | IDO1 (0.45) | IDO1TDO2CXCR2CXCR1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2511257-B1 | Composition comprising an alpha ketoamide compound as cysteine protease inhibitor | VIROBAY INC (US) | 2015-06-17 | — | — | EP | disclosed |
| EP-1663958-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2015-02-25 | — | — | 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 |
| EP-1819667-B1 | SULFONAMIDE 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 |
| 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-20090233909-A1 | Sulfonamide compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-09-17 | — | — | 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-20080114175-A1 | Processes and Intermediates Preparing Cysteine Protease Inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2008-05-15 | — | — | US | disclosed |
| US-20070021353-A1 | Alpha ketoamide compounds as cysteine protease inhibitors | APPLERA CORPORATION (US) | 2007-01-25 | — | — | US | disclosed |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-08-18 | — | — | US | 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 (8 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 | IDO1 2719/4885TDO2 4294/4885CXCR2 1671/4885 |
| US-20090170909-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSS, CTSF, CTSB | IDO1 2719/4885TDO2 4294/4885CXCR2 1671/4885 |
| US-20070021353-A1 | Alpha ketoamide compounds as cysteine protease inhibitors | CTSS, CTSF, CTSB | IDO1 2719/4885TDO2 4294/4885CXCR2 1671/4885 |
| US-20090233909-A1 | Sulfonamide compounds as cysteine protease inhibitors | CTSF, CTSS, CSTB | IDO1 3299/4885TDO2 3300/4885CXCR2 850/4885 |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | CTSF, CTSS, CTSE | IDO1 3748/4885TDO2 3885/4885CXCR2 868/4885 |
| US-20080114175-A1 | Processes and Intermediates Preparing Cysteine Protease Inhibitors | SPINT2, PREP, CPN1 | IDO1 2834/4885TDO2 3301/4885CXCR2 2182/4885 |
| US-20120282267-A1 | CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN | CTSS, CTSB, CTSK | IDO1 3621/4885TDO2 4447/4885CXCR2 251/4885 |
| US-20100305331-A1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSS, CTSF, CTSB | IDO1 2719/4885TDO2 4294/4885CXCR2 1671/4885 |
“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.