Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1478260 | 0.79 | ESR1 (0.55) | SMN1; SMN2NPC1ESR1ESR2MEN1 | |
| SCHEMBL5553905 | 0.79 | ESR1 (0.55) | SMN1; SMN2NPC1ESR1ESR2MEN1 | |
| SCHEMBL1380048 | 0.79 | ESR1 (0.55) | SMN1; SMN2NPC1ESR1ESR2MEN1 | |
| SCHEMBL4147484 | 0.77 | ALDH5A1 (0.52) | NPC1ESR1ESR2CA1CA2 | |
| SCHEMBL17583856 | 0.77 | ALDH5A1 (0.52) | KMT2ACYP2A6 | |
| SCHEMBL2476004 | 0.75 | CYP2A6 (0.50) | SMN1; SMN2NPC1CES2CES1CA1 | |
| SCHEMBL2478894 | 0.75 | HSD11B1 (0.52) | SMN1; SMN2NPC1CES2CES1 | |
| SCHEMBL177056 | 0.75 | CYP1A2 (0.52) | NPC1CES2CES1MAPT | |
| SCHEMBL11970052 | 0.75 | CAPN1 (0.47) | CA1CA2SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL23357071 | 0.75 | MAPT (0.44) | SMN1; SMN2NPC1CES2CES1OGG1 |
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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | claimed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | claimed |
| EP-1904439-B1 | SPHINGOSINE KINASE INHIBITORS | APOGEE BIOTHECHNOLOGY CORP (US) | 2014-11-26 | — | — | EP | claimed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | claimed |
| US-8557800-B2 | Sphingosine kinase inhibitors | APOGEE BIOTECHNOLOGY CORPORATION (US) | 2013-10-15 | — | — | US | claimed |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | claimed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | claimed |
| US-20060287317-A1 | SPHINGOSINE KINASE INHIBITORS | APOGEE BIOTECHNOLOGY CORPORATION (US) | 2006-12-21 | — | — | US | claimed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | WO | claimed |
| US-RE49811-E1 | Sphingosine kinase inhibitors | APOGEE BIOTECHNOLOGY CORPORATION (US) | 2024-01-23 | — | — | US | disclosed |
| US-11573224-B2 | Methods of detection using X-ray fluorescence | ICAGEN, LLC (US) | 2023-02-07 | — | — | US | disclosed |
| EP-3194367-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES | BOEHRINGER INGELHEIM INT (DE) | 2021-08-18 | — | — | EP | disclosed |
| US-20210040215-A1 | METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS | Université Toulouse III - Paul Sabatier (FR) | 2021-02-11 | — | — | US | disclosed |
| US-10877035-B2 | Advanced drug development and manufacturing | ICAGEN, LLC (US) | 2020-12-29 | — | — | US | disclosed |
| US-20050239857-A1 | Novel imidazoles | BOLTON GARY L | 2005-10-27 | — | — | US | disclosed |
| US-20050176701-A1 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | AGOURON PHARMACEUTICALS, INC. | 2005-08-11 | — | — | US | disclosed |
| US-20050026918-A1 | Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2005-02-03 | — | — | US | disclosed |
| WO-2004074270-A2 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2004-09-02 | — | — | WO | disclosed |
| CN-1024668-C | Preparation method of 2- (2-isoxazolidinyl) -2-tetrahydrofuran carboxylic acid derivative | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-05-25 | — | — | CN | disclosed |
| CN-85109633-A | Process for the preparation of antibiotic derivatives | — | 1987-01-07 | — | — | CN | 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 (5 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-20060287317-A1 | SPHINGOSINE KINASE INHIBITORS | SPHK1, SPHK2, S1PR1 | SMN1; SMN2 1614/4885NPC1 737/4885CES2 3816/4885 |
| US-20050026918-A1 | Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them | C5, ADRA2C, ADRA1A | SMN1; SMN2 2901/4885NPC1 1062/4885CES2 1676/4885 |
| US-20210040215-A1 | METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS | CD274, PDCD1, PDCD1LG2 | SMN1; SMN2 808/4885NPC1 1644/4885CES2 4642/4885 |
| US-20050239857-A1 | Novel imidazoles | HMGCR, HMGB2, HMGB3 | SMN1; SMN2 4738/4885NPC1 120/4885CES2 1303/4885 |
| US-20050176701-A1 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | RNASE1, RNASEH1, NSUN3 | SMN1; SMN2 3095/4885NPC1 110/4885CES2 377/4885 |
“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.