SCHEMBL938282

SCHEMBL938282

COc1cc(C)c(S(=O)(=O)N(C)c2nc3cccc(C(=O)O)c3n2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
LMNA P02545 2/20 0.37
PLA2G1B P04054 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
BDKRB1 P46663 4/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GFER P55789 1/20 0.34
KEAP1 Q14145 5/20 0.34
CDC25B P30305 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP4 P15090 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL938962 0.91 CYP2C9 (0.38) DHODHLMNAPLA2G1BMAPTHTT
SCHEMBL11947883 0.85 PARP1 (0.43) DHODHMAPTNPSR1BDKRB1HPGD
SCHEMBL939284 0.79 CYP2D6 (0.47) ALDH1A1HPGDGFERSMN1; SMN2
SCHEMBL939378 0.79 PPARG (0.39) NPSR1KDM4EHPGDHSD17B10
SCHEMBL11947886 0.79 THRB (0.45) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL940732 0.78 CYP3A4 (0.45) ALDH1A1HPGDSMN1; SMN2
SCHEMBL11947880 0.77 PARP1 (0.42) LMNAMAPTNPSR1BDKRB1ALDH1A1
SCHEMBL938280 0.77 DHODH (0.43) DHODHLMNAPLA2G1BMAPTHTT
SCHEMBL939114 0.76 SLC6A9 (0.38) NPSR1
SCHEMBL11947884 0.74 CYP2C9 (0.45) LMNAMAPTNPSR1ALDH1A1KDM4E

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 DHODH 3459/4885LMNA 2065/4885PLA2G1B 4088/4885

“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.