SCHEMBL939378

SCHEMBL939378

COc1cc(C)c(S(=O)(=O)N(C)c2nc3ccc(C(=O)O)cc3n2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.39
THRB P10828 1/20 0.39
CHEK2 O96017 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ATM Q13315 1/20 0.36
PIN1 Q13526 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL11947886 0.92 THRB (0.45) THRBHSP90AA1HSP90AB1HSD17B10KDM4E
SCHEMBL939690 0.91 CYP2C9 (0.45) CHEK2KDM4ETSHRNPSR1
SCHEMBL11947884 0.83 CYP2C9 (0.45) THRBKDM4ETSHRNPSR1
SCHEMBL11947883 0.80 PARP1 (0.43) PPARGHPGDTSHRNPSR1
SCHEMBL938282 0.79 DHODH (0.44) HSD17B10KDM4EHPGDNPSR1
SCHEMBL939216 0.77 CYP3A4 (0.51) HSD17B10HPGDTSHR
SCHEMBL939376 0.77 PPARG (0.43) PPARGPIN1
SCHEMBL938962 0.74 CYP2C9 (0.38) HSD17B10KDM4EHPGDTSHRNPSR1
SCHEMBL11947880 0.74 PARP1 (0.42) HSD17B10KDM4EHPGDTSHRNPSR1
SCHEMBL938645 0.71 NPSR1 (0.50) CHEK2HSP90AA1NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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 (1 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 PPARG 625/4885THRB 999/4885CHEK2 978/4885

“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.