SCHEMBL3480149

SCHEMBL3480149

Cc1c(S(N)(=O)=O)sc2cc(OCCCl)c(OCCCl)cc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.33
PFKFB4 Q16877 2/20 0.33
CMA1 P23946 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 2/20 0.31
PDIA6 Q15084 1/20 0.30
AKR1B1 P15121 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
SCHEMBL3480331 0.79 CMA1 (0.36) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL3480357 0.78 PFKFB3 (0.34) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL3931196 0.78 CA2 (0.34) CA2
SCHEMBL3480156 0.77 CMA1 (0.39) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL3483500 0.75
SCHEMBL3483859 0.72 PDIA6 (0.33) PFKFB3PFKFB4CA2PDIA6
SCHEMBL3480833 0.71 CA2 (0.45) CA2
SCHEMBL16684168 0.71
SCHEMBL3484089 0.71 PDIA6 (0.33) PDIA6
SCHEMBL13032383 0.70 HTR6 (0.32) PFKFB3PFKFB4CMA1NPSR1L3MBTL1

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 6 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 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 (2 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 PFKFB3 101/4885PFKFB4 59/4885CMA1 1388/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS PFKFB3 725/4885PFKFB4 577/4885CMA1 356/4885

“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.