SCHEMBL3483637

SCHEMBL3483637

Cc1c(S(=O)(=O)NC(c2ccc(C#N)c(F)c2)P(=O)(O)O)sc2cc(OCCN)c(OCCN)cc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.32
PDPK1 O15530 1/20 0.31
S1PR1 P21453 3/20 0.31
S1PR3 Q99500 3/20 0.31
PFKFB4 Q16877 2/20 0.30
PFKFB3 Q16875 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
SCHEMBL3483565 0.96 TRPV4 (0.32) TRPV4PDPK1S1PR1S1PR3
Hydrochloric Acid SCHEMBL3483594 0.95 TRPV4 (0.31) TRPV4PDPK1S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL3480462 0.95 PFKFB4 (0.31) PDPK1PFKFB4PFKFB3
Trifluoroacetic Acid SCHEMBL3480474 0.91 CACNA1B (0.32) PFKFB4PFKFB3
SCHEMBL3484057 0.91 TRPV4 (0.30) TRPV4PDPK1
SCHEMBL3483361 0.90 TRPV4 (0.30) TRPV4
SCHEMBL3483493 0.86 S1PR3 (0.33) TRPV4S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL3483687 0.86
Trifluoroacetic Acid SCHEMBL3480618 0.86
SCHEMBL3483722 0.85 TRPV4 (0.34) TRPV4PDPK1S1PR1S1PR3

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 4788/4885PDPK1 875/4885S1PR1 4547/4885

“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.