SCHEMBL3483836

SCHEMBL3483836

Cc1cc(OCCCCl)c(OCCCCl)cc1-c1ccc(S(=O)(=O)NC(=O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.34
MAPT P10636 3/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP3K5 Q99683 1/20 0.33
NLRP3 Q96P20 1/20 0.33
WDR5 P61964 2/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
RARB P10826 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3483960 0.83 MMP13 (0.37) NLRP3MMP2MMP9
SCHEMBL3480413 0.83 MAP3K5 (0.35) MCL1MAPTMEN1KMT2AMAP3K5
SCHEMBL3483815 0.83 MCL1 (0.32) MCL1MAPTMEN1KMT2AMAP3K5
SCHEMBL3480669 0.82 CA2 (0.41) NPC1RAB9A
SCHEMBL3480078 0.82 PPARA (0.32) MAPTPPARAMEN1KMT2ATP53
SCHEMBL3480406 0.75 LMNA (0.34) NPC1
SCHEMBL3480405 0.75 LMNA (0.34) NPC1
SCHEMBL16667390 0.74 MAP3K5 (0.41) MCL1MAPTMAP3K5TP53KDM4E
SCHEMBL3480770 0.73 FBP1 (0.36) MCL1PPARA
SCHEMBL14931506 0.71 MAP3K5 (0.33) MCL1MAP3K5

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 7 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
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 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 MCL1 2761/4885MAPT 3993/4885PPARA 2638/4885

“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.