SCHEMBL3484098

SCHEMBL3484098

N#Cc1ccc(C(NS(=O)(=O)c2cc3c(Cl)c(OCC[n+]4ccccc4)ccc3s2)P(=O)([O-])O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.31
S1PR1 P21453 2/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL3483884 0.87 S1PR1 (0.31) S1PR3S1PR1TRPV4
SCHEMBL3483633 0.86
SCHEMBL3483233 0.86
SCHEMBL3483940 0.85 TRPV4 (0.35) TRPV4
SCHEMBL3484015 0.83 S1PR3 (0.33) S1PR3S1PR1TRPV4
SCHEMBL3483560 0.79 S1PR3 (0.32) S1PR3S1PR1TRPV4
SCHEMBL3483626 0.79 AR (0.30)
SCHEMBL3483265 0.77
SCHEMBL3483588 0.77 TRPV4 (0.32) TRPV4
SCHEMBL3483966 0.76 CA2 (0.32)

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 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 S1PR3 4709/4885S1PR1 4547/4885TRPV4 4788/4885

“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.