SCHEMBL13032049

SCHEMBL13032049

CCc1c(S(=O)(=O)NCP(=O)(O)Oc2ccc(C#N)c(F)c2)sc2c(F)c(OCCN)c(OCCN)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 14/20 0.35

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
SCHEMBL13032069 0.96 TRPV4 (0.35) TRPV4
SCHEMBL13032041 0.91 TRPV4 (0.38) TRPV4
SCHEMBL14943031 0.90 TRPV4 (0.34) TRPV4
SCHEMBL3949010 0.87 TRPV4 (0.37) TRPV4
SCHEMBL13022868 0.86 TRPV4 (0.32) TRPV4
Trifluoroacetic Acid SCHEMBL3950588 0.86 TRPV4 (0.35) TRPV4
SCHEMBL13024347 0.86 TRPV4 (0.32) TRPV4
SCHEMBL3480281 0.84 PTGDR (0.33) TRPV4
SCHEMBL13021133 0.84 PTGDR (0.31) TRPV4
SCHEMBL13022839 0.84 PTGDR (0.32) 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 3 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 disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS TRPV4 4788/4885

“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.