SCHEMBL939902

SCHEMBL939902

Cc1cc(S(=O)(=O)N(C)Cc2nc3cccc(C(=O)N4CCC5(CC4)CCN(c4ccncc4)C5)c3[nH]2)c(C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
CYP3A4 P08684 8/20 0.38
CYP2C9 P11712 8/20 0.38
CYP2C19 P33261 8/20 0.38
CYP1A2 P05177 5/20 0.38
CYP2D6 P10635 5/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL939921 0.96 CYP2C9 (0.40) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL938894 0.89 ITGB3 (0.39) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL939152 0.87 CYP3A4 (0.45) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL939306 0.84 CYP3A4 (0.40) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL939569 0.83 CYP3A4 (0.46) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL938222 0.83 CYP3A4 (0.39) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL938443 0.82 CYP3A4 (0.42) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL940776 0.82 CYP2D6 (0.47) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL938493 0.82 CYP2C19 (0.42) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL938398 0.82 CYP3A4 (0.46) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19

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 6 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 claimed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US claimed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US claimed
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-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 ITGB3 3762/4885ITGA2B 4434/4885CYP3A4 253/4885

“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.