SCHEMBL3480754

SCHEMBL3480754

N#Cc1ccc(OP(=O)(CNS(=O)(=O)c2cc3cc(OCCCCN)c(OCCCN)cc3s2)Oc2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 14/20 0.35
SLC22A12 Q96S37 4/20 0.34

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
SCHEMBL3480041 1.00 TRPV4 (0.35) TRPV4SLC22A12
SCHEMBL3480751 0.93 TRPV4 (0.35) TRPV4
SCHEMBL3480039 0.93 TRPV4 (0.35) TRPV4
SCHEMBL14943073 0.92 TRPV4 (0.35) TRPV4
SCHEMBL14943083 0.91 TRPV4 (0.36) TRPV4
SCHEMBL14931309 0.88 SLC22A12 (0.33) TRPV4SLC22A12
SCHEMBL14931315 0.88 SLC22A12 (0.33) TRPV4SLC22A12
SCHEMBL13031985 0.87 TRPV4 (0.36) TRPV4
SCHEMBL14943080 0.85 ALDH1A1 (0.36) TRPV4
SCHEMBL14943081 0.85 ALDH1A1 (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 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 claimed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
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 TRPV4 4778/4885SLC22A12 2766/4885

“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.