SCHEMBL3483412

SCHEMBL3483412

N#Cc1ccc(C(NS(=O)(=O)c2cc3cc(OCCCN)c(OCCCN)cc3s2)P(=O)(O)O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
CHEK1 O14757 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 SCHEMBL3480667 0.96 CACNA1B (0.34) AR
SCHEMBL3483247 0.96 AR (0.33) ARCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3480353 0.93 AR (0.31) AR
SCHEMBL3483723 0.91 TRPV4 (0.31) TRPV4
Trifluoroacetic Acid SCHEMBL3480612 0.89 CACNA1B (0.34) TRPV4
SCHEMBL3483243 0.88 TRPV4 (0.31) TRPV4
Trifluoroacetic Acid SCHEMBL3480127 0.87 CACNA1B (0.33) CA12CA1CA2CA9
SCHEMBL3483911 0.86 TRPV4 (0.31) TRPV4
SCHEMBL3483531 0.86 TRPV4 (0.35) ARCA12CA1CA2CA9
SCHEMBL3483794 0.86 LIPC (0.31)

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 5 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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO 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 AR 4276/4885CA12 3327/4885CA1 3102/4885

“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.