Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PPP5C | P53041 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2034076 | 0.82 | CES2 (0.56) | CES2CES1CA3CA6CA5A | |
| SCHEMBL15609067 | 0.78 | DGAT1 (0.50) | CES2ALDH1A1PPP5CCTSLKDM1A | |
| SCHEMBL6889081 | 0.78 | KEAP1 (0.38) | CES2CES1KEAP1ALDH1A1PPP5C | |
| SCHEMBL29537903 | 0.77 | CES2 (0.68) | CES2CES1CA3CA6CA5A | |
| SCHEMBL4426660 | 0.77 | CES2 (0.56) | CES2CES1CA3CA6CA5A | |
| SCHEMBL12289224 | 0.77 | CES2 (0.56) | CES2CES1CA3CA6CA5A | |
| SCHEMBL366058 | 0.77 | CES2 (0.68) | CES2CES1CA3CA6CA5A | |
| SCHEMBL20560609 | 0.77 | CES2 (0.56) | CES2CES1CA3CA6CA5A | |
| SCHEMBL801104 | 0.77 | CES2 (0.50) | CES2CES1CA3CA6CA5A | |
| SCHEMBL27673772 | 0.76 | CES2 (0.74) | CES2CES1CA3CA6CA5A |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091926-B1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2015-10-21 | — | — | EP | disclosed |
| US-8748626-B2 | Oxazole and thiazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8748626-B2 | Oxazole and thiazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8748626-B2 | Oxazole and thiazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-20140056880-A1 | TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2014-02-27 | — | — | US | disclosed |
| US-20140056880-A1 | TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2014-02-27 | — | — | US | disclosed |
| US-20140056880-A1 | TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2014-02-27 | — | — | US | disclosed |
| US-8546434-B2 | Triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2013-10-01 | — | — | US | disclosed |
| US-8546434-B2 | Triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2013-10-01 | — | — | US | disclosed |
| US-8546434-B2 | Triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2013-10-01 | — | — | US | disclosed |
| US-7902240-B2 | Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide | NOVARTIS AG (CH) | 2011-03-08 | — | — | US | disclosed |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2010-02-11 | — | — | US | disclosed |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2010-02-11 | — | — | US | disclosed |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG | 2008-08-21 | — | — | US | disclosed |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG | 2008-08-21 | — | — | US | disclosed |
| WO-2008063912-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2008-05-29 | — | — | WO | disclosed |
| US-7335674-B2 | Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) | 2008-02-26 | — | — | US | disclosed |
| US-20060135573-A1 | Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof | IPSEN PHARMA S.A.S. (FR) | 2006-06-22 | — | — | US | disclosed |
| EP-1641789-A2 | BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF | Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005000843-A2 | BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2005-01-06 | — | — | 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 (4 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-20060135573-A1 | Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof | CDC25A, CDC25C, CDC25B | CES2 2475/4885CES1 1748/4885CA3 1779/4885 |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | CYP3A43, ABCG2, CYP3A7 | CES2 936/4885CES1 113/4885CA3 3028/4885 |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | CYP3A43, ABCG2, CYP3A7 | CES2 936/4885CES1 113/4885CA3 3028/4885 |
| US-20140056880-A1 | TRIAZOLE COMPOUNDS AS KSP INHIBITORS | CYP17A1, CYP51A1, KLKB1 | CES2 1111/4885CES1 86/4885CA3 3918/4885 |
“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.