SCHEMBL3483558

SCHEMBL3483558

Cc1c(S(=O)(=O)NC(c2ccc(C#N)c(F)c2)P(=O)(O)O)sc2c(F)c(OCCCN)c(OCCCN)c(F)c12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.33
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
PDPK1 O15530 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
SCHEMBL3483962 0.96 TRPV4 (0.33) TRPV4S1PR1S1PR3PDPK1
Trifluoroacetic Acid SCHEMBL3480262 0.95 CACNA1B (0.30) TRPV4
Trifluoroacetic Acid SCHEMBL3480344 0.91 TRPV4 (0.30) TRPV4
SCHEMBL3483651 0.91 TRPV4 (0.30) TRPV4
SCHEMBL3483619 0.87 TRPV4 (0.31) TRPV4PDPK1
Trifluoroacetic Acid SCHEMBL3480823 0.86
Trifluoroacetic Acid SCHEMBL3480222 0.83
SCHEMBL3483565 0.82 TRPV4 (0.32) TRPV4S1PR1S1PR3PDPK1
Hydrochloric Acid SCHEMBL3483594 0.81 TRPV4 (0.31) TRPV4S1PR1S1PR3PDPK1
SCHEMBL3949010 0.81 TRPV4 (0.37) 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
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 4788/4885S1PR1 4547/4885S1PR3 4709/4885

“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.