SCHEMBL3483531

SCHEMBL3483531

N#Cc1ccc(C(NS(=O)(=O)c2cc3cc(OCCN)ccc3s2)P(=O)(O)O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.35
AR P10275 3/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN9A Q15858 2/20 0.32
SLC22A12 Q96S37 1/20 0.31
PLA2G7 Q13093 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL3483521 0.92 TRPV4 (0.32) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL3483289 0.91 TRPV4 (0.36) TRPV4
SCHEMBL3483247 0.90 AR (0.33) TRPV4ARSLC22A12PLA2G7CA12
SCHEMBL3483678 0.89 TRPV4 (0.33) TRPV4
SCHEMBL3483957 0.87 TRPV4 (0.33) TRPV4ARCYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL3480353 0.87 AR (0.31) AR
Trifluoroacetic Acid SCHEMBL3483198 0.86 TRPV4 (0.32) TRPV4SCN9A
SCHEMBL3483412 0.86 AR (0.33) TRPV4ARSLC22A12CA12CA1
SCHEMBL3483812 0.83 CA2 (0.32) CA1CA2
Trifluoroacetic Acid SCHEMBL3480667 0.83 CACNA1B (0.34) AR

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 7 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP 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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO 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 4788/4885AR 4276/4885CYP2D6 613/4885

“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.