SCHEMBL3483543

SCHEMBL3483543

N#Cc1ccc(C(NS(=O)(=O)c2cc3c(F)c(OCCCN)c(OCCCN)c(F)c3s2)P(=O)(O)O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.33
AR P10275 6/20 0.31
CYP2C19 P33261 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ABCB11 O95342 1/20 0.30
ALB P02768 1/20 0.30
PGR P06401 1/20 0.30
ADRA2C P18825 1/20 0.30
GHSR Q92847 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
Trifluoroacetic Acid SCHEMBL3480346 0.96 TRPV4 (0.31) TRPV4AR
SCHEMBL3483281 0.96 TRPV4 (0.33) TRPV4ARCA12CA1CA2
Trifluoroacetic Acid SCHEMBL3480713 0.93 TRPV4 (0.31) TRPV4AR
Trifluoroacetic Acid SCHEMBL3483548 0.90 CACNA1B (0.31) TRPV4
SCHEMBL3483534 0.88 TRPV4 (0.33) TRPV4
Trifluoroacetic Acid SCHEMBL3480875 0.86 TRPV4 (0.32) TRPV4
SCHEMBL3483736 0.85 TRPV4 (0.33) TRPV4ARCYP2C19CYP2D6CYP2C9
SCHEMBL3483856 0.84 TRPV4 (0.32) TRPV4
Trifluoroacetic Acid SCHEMBL3480227 0.82 TRPV4 (0.31) TRPV4
SCHEMBL3483412 0.82 AR (0.33) TRPV4ARCA12CA1CA2

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP claimed
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

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 4276/4885CYP2C19 768/4885

“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.