SCHEMBL940188

SCHEMBL940188

Cc1ccc(Cl)c(S(=O)(=O)CNCc2nc3cccc(C(=O)O)c3[nH]2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.38
PTGS2 P35354 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TTR P02766 2/20 0.36
AKR1B10 O60218 1/20 0.36
ABCB11 O95342 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
FABP2 P12104 1/20 0.36
RXRA P19793 1/20 0.36
TBXA2R P21731 1/20 0.36
NR4A1 P22736 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
AKR1C3 P42330 1/20 0.36
NR4A2 P43354 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 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
SCHEMBL938974 0.90 KDM5A (0.34) CLCN2PTGS2MEN1KMT2ATTR
SCHEMBL940058 0.83 KDM5A (0.37) MEN1KMT2AKDM4AKDM5AKDM5B
SCHEMBL941263 0.81 KDM4C (0.39) MEN1KMT2AMAPK1KDM4AKDM5A
SCHEMBL940190 0.80 KDM5A (0.35) CLCN2PTGS2MEN1KMT2ATTR
SCHEMBL940219 0.73 DHODH (0.40) AKR1C2AKR1C1KDM4AKDM5AKDM5B
SCHEMBL11888786 0.73 CD38 (0.37) PTGS2ALOX15TP53
SCHEMBL937934 0.72 ALDH1A1 (0.40) MEN1KMT2AKDM5AKDM5BLMNA
SCHEMBL11888799 0.72 KDM4C (0.38) MAPK1KDM4AKDM5AKDM5BLMNA
SCHEMBL938966 0.72 PTGS2 (0.38) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL938977 0.72 C1R (0.36) MEN1KMT2AKDM4AKDM5AKDM5B

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 3 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-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 CLCN2 1328/4885PTGS2 783/4885MEN1 864/4885

“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.