SCHEMBL3480281

SCHEMBL3480281

CCc1c(S(=O)(=O)NCP(=O)(O)Oc2ccc(C#N)c(F)c2)sc2c(F)c(OCCNC(=O)c3ccc(CC(=O)O)c(CC(=O)O)c3)c(OCCNC(=O)c3ccc(CC(=O)O)c(CC(=O)O)c3)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
TRPV4 Q9HBA0 2/20 0.31
GCGR P47871 1/20 0.30

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
SCHEMBL13022868 0.90 TRPV4 (0.32) TRPV4
SCHEMBL3480267 0.89
SCHEMBL13024347 0.88 TRPV4 (0.32) PTGDRPTGDR2TRPV4
SCHEMBL13021133 0.88 PTGDR (0.31) PTGDRPTGDR2TRPV4
SCHEMBL13022839 0.86 PTGDR (0.32) PTGDRPTGDR2TRPV4
SCHEMBL3480356 0.86 TRPV4 (0.33) PTGDRPTGDR2TRPV4
SCHEMBL13032049 0.84 TRPV4 (0.35) TRPV4
SCHEMBL13032069 0.84 TRPV4 (0.35) TRPV4
SCHEMBL14943031 0.83 TRPV4 (0.34) TRPV4
SCHEMBL3480146 0.81 PTGDR (0.32) PTGDRPTGDR2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US claimed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 PTGDR 3286/4885PTGDR2 4042/4885TRPV4 4778/4885

“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.