SCHEMBL3945504

SCHEMBL3945504

N#Cc1ccc(OP(=O)(O)CNS(=O)(=O)c2cc3c(Cl)c(OCCN)c(OCCN)c(Cl)c3s2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.36
AR P10275 4/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PLA2G7 Q13093 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
CNR2 P34972 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
Trifluoroacetic Acid SCHEMBL3949784 0.96 TRPV4 (0.34) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL3945510 0.93 TRPV4 (0.36) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL13032025 0.91 TRPV4 (0.37) TRPV4
SCHEMBL3950721 0.89 TRPV4 (0.36) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL12979831 0.86 AR (0.34) TRPV4ARPLA2G7
SCHEMBL13032111 0.85 AR (0.34) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL14943033 0.82
SCHEMBL3483736 0.82 TRPV4 (0.33) TRPV4ARCYP2D6CYP2C9CYP2C19
SCHEMBL3950724 0.82 TRPV4 (0.36) TRPV4ARPLA2G7SLC22A12
SCHEMBL13032081 0.82 TRPV4 (0.36) TRPV4ARCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 4788/4885AR 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.