Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.38 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3892984 | 0.95 | OPRL1 (0.43) | CTSSCA12CA1CA2CA4 | |
| SCHEMBL3907563 | 0.87 | EPHX1 (0.41) | CTSSCA12CA1CA2CA4 | |
| SCHEMBL3894089 | 0.85 | CA12 (0.45) | CTSSCA12CA1CA2CA4 | |
| SCHEMBL3902181 | 0.84 | CA12 (0.41) | CA12CA1CA2CA4CA5A | |
| SCHEMBL3897962 | 0.83 | CTSS (0.47) | CTSSALDH1A1USP2CYP3A4TSHR | |
| SCHEMBL3907701 | 0.83 | CTSS (0.41) | CTSSCA12CA1CA2CA4 | |
| SCHEMBL3892995 | 0.79 | CTSL (0.45) | CTSSCA12CA1CA2CA4 | |
| SCHEMBL3902030 | 0.78 | CTSS (0.59) | CTSSALDH1A1USP2KMT2ACYP3A4 | |
| SCHEMBL3895514 | 0.78 | CTSS (0.46) | CTSSCA1CA2CA7CA9 | |
| SCHEMBL3900309 | 0.76 | CTSS (0.40) | CTSSALDH1A1KMT2ACYP3A4TSHR |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | claimed |
| US-6982263-B2 | Nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-01-03 | — | — | US | claimed |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-26 | — | — | US | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| US-7504392-B2 | 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use | GLAXO GROUP LIMITED (GB) | 2009-03-17 | — | — | US | disclosed |
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | disclosed |
| US-20080269197-A1 | antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia | GLAXO GROUP LIMITED | 2008-10-30 | — | — | US | disclosed |
| EP-1511727-B1 | AROMATIC SULFONES AND THEIR MEDICAL USE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |
| US-6982263-B2 | Nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-01-03 | — | — | US | disclosed |
| US-20050261279-A1 | Compounds | GLAXO GROUP LIMITED (GB) | 2005-11-24 | — | — | US | disclosed |
| EP-1511727-A2 | AROMATIC SULFONES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2005-03-09 | — | — | EP | disclosed |
| WO-2003099786-A2 | AROMATIC SULFONES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2003-12-04 | — | — | WO | disclosed |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2003-06-26 | — | — | US | disclosed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | 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 (3 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-20080269197-A1 | antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia | SIGMAR1, CBR3, CBR1 | CTSS 2497/4885CA12 2204/4885CA1 751/4885 |
| US-20050261279-A1 | Compounds | CBR1, CBR3, OXER1 | CTSS 3192/4885CA12 435/4885CA1 187/4885 |
| US-20030119827-A1 | Novel nitriles useful as reversible inhibitors of cysteine proteases | NOS1, CTSK, CTSS | CTSS 3/4885CA12 2943/4885CA1 222/4885 |
“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.