SCHEMBL2480129

SCHEMBL2480129

CC(C)(C)OC(=O)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
EPHX2 P34913 3/20 0.40
NR1H4 Q96RI1 3/20 0.40
SLC7A5 Q01650 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
IDO1 P14902 2/20 0.38
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
ALOX15 P16050 1/20 0.36

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27312730 0.88 CA12 (0.40) STAT3GABRA1GABRG2GABRB3GABRA3
SCHEMBL2130053 0.85 STAT3 (0.44) STAT3GABRA1GABRG2GABRB3GABRA3
SCHEMBL3526985 0.83 CA12 (0.43) STAT3GABRA1GABRG2GABRB3GABRA3
SCHEMBL480297 0.83 ALDH1A1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL3564657 0.82 GABRA1 (0.41) STAT3GABRA1GABRG2GABRB3GABRA3
SCHEMBL14859175 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5963476 0.81 GABRA1 (0.41) STAT3GABRA1GABRG2GABRB3GABRA3
SCHEMBL4518140 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6953347 0.80 PDK1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL3527402 0.80 CA12 (0.43) STAT3GABRA1GABRG2GABRB3GABRA3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
EP-2373632-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
WO-2003000692-A2 OXYTOCIN AGONISTS FERRING BV (NL) 2003-01-03 WO disclosed
CN-1048159-C Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 2000-01-12 CN disclosed
EP-0955294-A2 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORPORATION (US) 1999-11-10 EP disclosed
US-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 US disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
CN-1079648-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
CN-1079649-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP 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 (2 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B STAT3 3379/4885GABRA1 105/4885GABRG2 187/4885
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE STAT3 1531/4885GABRA1 1285/4885GABRG2 2941/4885

“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.