SCHEMBL3480413

SCHEMBL3480413

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.35
MCL1 Q07820 4/20 0.33
FDPS P14324 2/20 0.33
MAPT P10636 6/20 0.32
TP53 P04637 1/20 0.31
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16667390 0.91 MAP3K5 (0.41) MAP3K5MCL1FDPSMAPTTP53
SCHEMBL14931506 0.88 MAP3K5 (0.33) MAP3K5MCL1
SCHEMBL3480383 0.84 MAP3K5 (0.32) MAP3K5MCL1MAPT
SCHEMBL3480263 0.83 MAPT (0.34) FDPSMAPTTP53
SCHEMBL3483836 0.83 MCL1 (0.34) MAP3K5MCL1MAPTTP53KDM4E
SCHEMBL3480669 0.79 CA2 (0.41)
SCHEMBL16667192 0.75 MAP3K5 (0.38) MAP3K5MCL1MAPT
SCHEMBL16667584 0.74 MAP3K5 (0.33) MAP3K5MCL1
SCHEMBL16667405 0.74 P2RY14 (0.38) MAP3K5MAPTTP53
SCHEMBL3480078 0.74 PPARA (0.32) MAPTTP53KDM4EMEN1KMT2A

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 8 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
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 (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 MAP3K5 3428/4885MCL1 1613/4885FDPS 465/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS MAP3K5 3507/4885MCL1 2761/4885FDPS 1468/4885

“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.