SCHEMBL4204282

SCHEMBL4204282

Cc1c(S(=O)(=O)NCP(=O)(O)Oc2ccc(C#N)c(F)c2)sc2ccc(OCCCN(CCCN)CCCN)cc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 12/20 0.36
PFKFB3 Q16875 1/20 0.32
PFKFB4 Q16877 1/20 0.32

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
SCHEMBL13032311 0.99 TRPV4 (0.35) TRPV4PFKFB3PFKFB4
Trifluoroacetic Acid SCHEMBL4199110 0.95 CACNA1B (0.34) TRPV4
Trifluoroacetic Acid SCHEMBL14931254 0.94 CACNA1B (0.35) TRPV4
SCHEMBL4204287 0.93 TRPV4 (0.36) TRPV4PFKFB3PFKFB4
SCHEMBL14931312 0.90 TRPV4 (0.36) TRPV4
SCHEMBL13032060 0.86 TRPV4 (0.36) TRPV4
SCHEMBL14931240 0.85 TRPV4 (0.31) TRPV4PFKFB3PFKFB4
Hydrochloric Acid SCHEMBL3939326 0.85 TRPV4 (0.36) TRPV4
Hydrochloric Acid SCHEMBL3939307 0.85 TRPV4 (0.36) TRPV4
SCHEMBL4210540 0.84 TRPV4 (0.35) 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 5 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
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 4788/4885PFKFB3 725/4885PFKFB4 577/4885

“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.