SCHEMBL3483859

SCHEMBL3483859

Cc1c(S(N)(=O)=O)sc2c(Cl)cc(OCCCl)cc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.33
PFKFB4 Q16877 2/20 0.33
MCL1 Q07820 1/20 0.33
PFKFB3 Q16875 1/20 0.33
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA4 P22748 1/20 0.31
MAOB P27338 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HTR6 P50406 1/20 0.30
CA9 Q16790 2/20 0.30
TSHR P16473 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
SCHEMBL3484089 0.86 PDIA6 (0.33) PDIA6
SCHEMBL14931277 0.85 PFKFB4 (0.33) PFKFB4MCL1PFKFB3
SCHEMBL3483419 0.83 PFKFB4 (0.41) PFKFB4MCL1PFKFB3HTR6
SCHEMBL3484161 0.80 PFKFB4 (0.36) PFKFB4MCL1PFKFB3HTR6
SCHEMBL3483589 0.74 CA2 (0.39) CA2
SCHEMBL14931390 0.74
SCHEMBL3480149 0.72 PFKFB3 (0.33) PDIA6PFKFB4PFKFB3CA2
SCHEMBL13032423 0.71 MCL1 (0.33) MCL1
SCHEMBL3483365 0.71
SCHEMBL3483268 0.70 MCL1 (0.34) MCL1TSHR

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 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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO 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 PDIA6 3753/4885PFKFB4 577/4885MCL1 2761/4885

“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.