SCHEMBL3484057

SCHEMBL3484057

CCc1c(S(=O)(=O)NC(c2ccc(C#N)c(F)c2)P(=O)(O)O)sc2cc(OCCN)c(OCCN)cc12

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 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
Trifluoroacetic Acid SCHEMBL3480618 0.95
Trifluoroacetic Acid SCHEMBL3483538 0.92 CACNA1B (0.31)
SCHEMBL3483637 0.91 TRPV4 (0.32) TRPV4PDPK1
SCHEMBL3484084 0.90
SCHEMBL3483565 0.87 TRPV4 (0.32) TRPV4PDPK1
Trifluoroacetic Acid SCHEMBL3484067 0.86
Hydrochloric Acid SCHEMBL3483594 0.86 TRPV4 (0.31) TRPV4PDPK1
Trifluoroacetic Acid SCHEMBL3480462 0.86 PFKFB4 (0.31) PDPK1
SCHEMBL3483619 0.82 TRPV4 (0.31) TRPV4PDPK1
Trifluoroacetic Acid SCHEMBL3480474 0.82 CACNA1B (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 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 875/4885

“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.