SCHEMBL3483871

SCHEMBL3483871

Cc1cc(Cl)c2sc(S(=O)(=O)NC(=O)O)cc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 2/20 0.36
FBP1 P09467 4/20 0.33
MCL1 Q07820 1/20 0.32
PFKFB3 Q16875 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 1/20 0.32
PTGER3 P43115 1/20 0.32
DAO P14920 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
ACLY P53396 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
GPR27 Q9NS67 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
SCHEMBL14931270 0.78 CA2 (0.38)
SCHEMBL21612293 0.72 ACLY (0.49) FBP1PTGER3DAOACLY
SCHEMBL14931195 0.70 MCL1 (0.31) MCL1
SCHEMBL194745 0.64 MAPT (0.53) FBP1KMT2A
Lithium Ion SCHEMBL3483658 0.62
SCHEMBL29188855 0.58 CA1 (0.64)
SCHEMBL21183476 0.58 CA1 (0.44) FBP1PTGER3DAOACLY
SCHEMBL21612475 0.57 PTGER3 (0.47) PTGER3
SCHEMBL21612473 0.57 PTGER3 (0.47) PTGER3
SCHEMBL13885553 0.56 CYP3A4 (0.36)

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 PFKFB4 577/4885FBP1 234/4885MCL1 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.