SCHEMBL3920516

SCHEMBL3920516

O=C(NCCCOc1ccc(-c2ccc(S(=O)(=O)NCP(=O)(O)O)s2)cc1OCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
BCL2 P10415 3/20 0.35
BCL2L1 Q07817 3/20 0.35
MCL1 Q07820 3/20 0.35
P2RY14 Q15391 5/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMPD1 P17405 1/20 0.33
XDH P47989 1/20 0.33
MCHR1 Q99705 3/20 0.32
TP53 P04637 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
SCHEMBL4132872 0.88 CNR2 (0.36) CNR2BCL2BCL2L1MCL1P2RY14
SCHEMBL3919835 0.85 MCL1 (0.36) CNR2BCL2BCL2L1MCL1SMPD1
SCHEMBL3480485 0.82 BCL2 (0.33) BCL2BCL2L1MCL1MCHR1
SCHEMBL3480263 0.82 MAPT (0.34) P2RY14TP53
SCHEMBL16667405 0.81 P2RY14 (0.38) P2RY14TP53
SCHEMBL3480325 0.80 XDH (0.39) CNR2SMPD1XDHMCHR1
SCHEMBL3480053 0.80 XDH (0.39) CNR2SMPD1XDHMCHR1
SCHEMBL3480605 0.80 TOP1 (0.35) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3480489 0.79 SNCA (0.47) BCL2BCL2L1MCL1P2RY14
SCHEMBL3480294 0.79 XDH (0.35) CNR2PDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP claimed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO claimed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO disclosed