SCHEMBL3949005

SCHEMBL3949005

Cc1c(S(=O)(=O)NCP(=O)(Oc2ccc(C#N)c(F)c2)Oc2ccc(C#N)c(F)c2)sc2c(F)c(OCCCN)c(OCCCN)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.38

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
SCHEMBL3949010 0.93 TRPV4 (0.37) TRPV4
SCHEMBL13032041 0.89 TRPV4 (0.38) TRPV4
SCHEMBL14931384 0.89 TRPV4 (0.36) TRPV4
SCHEMBL14931224 0.89 TRPV4 (0.36) TRPV4
Trifluoroacetic Acid SCHEMBL3942311 0.88 TRPV4 (0.34) TRPV4
SCHEMBL14931399 0.88
Trifluoroacetic Acid SCHEMBL3950588 0.85 TRPV4 (0.35) TRPV4
SCHEMBL13032069 0.84 TRPV4 (0.35) TRPV4
SCHEMBL14931180 0.82 TRPV4 (0.36) TRPV4
SCHEMBL14931223 0.82 TRPV4 (0.36) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US claimed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO claimed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed