SCHEMBL3480290

SCHEMBL3480290

CCc1c(S(=O)(=O)NC(=O)O)sc2cc(OCCCCl)c(OCCCCl)cc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 12/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
BCL2 P10415 2/20 0.31
BCL2L1 Q07817 2/20 0.31
BAD Q92934 2/20 0.31
WDR5 P61964 2/20 0.31
PFKFB3 Q16875 1/20 0.31
PFKFB4 Q16877 1/20 0.31
STING1 Q86WV6 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2C P28335 1/20 0.30
HTR6 P50406 1/20 0.30
PPARA Q07869 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
SCHEMBL3480156 0.87 CMA1 (0.39) MCL1PFKFB3PFKFB4
SCHEMBL3480846 0.82
SCHEMBL3480321 0.79
SCHEMBL3480319 0.78
SCHEMBL16667549 0.73
SCHEMBL3480770 0.73 FBP1 (0.36) MCL1STING1PPARA
SCHEMBL3483542 0.72
SCHEMBL3480337 0.72 SMN1; SMN2 (0.30) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3483295 0.71 CA12 (0.32) STING1
SCHEMBL3480275 0.71

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 MCL1 1613/4885SMN1; SMN2 3461/4885BCL2 4620/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS MCL1 2761/4885SMN1; SMN2 3467/4885BCL2 4758/4885

“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.