SCHEMBL6607137

SCHEMBL6607137

CN(C)S(=O)(=O)c1ccc(C(CS(=O)(=O)Cc2ccc3sccc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 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
SCHEMBL6607132 1.00 MMP2 (0.32) MMP2MMP13ALDH1A1OPRM1OPRD1
SCHEMBL6758604 0.93
SCHEMBL6400568 0.87
SCHEMBL6608144 0.87
SCHEMBL6608153 0.87
SCHEMBL6401244 0.83
SCHEMBL6397626 0.78 CHEK1 (0.35) MMP2MMP13ALDH1A1OPRM1OPRD1
SCHEMBL6397621 0.78 CHEK1 (0.35) MMP2MMP13ALDH1A1OPRM1OPRD1
SCHEMBL6399472 0.77 MASP2 (0.33)
SCHEMBL6604993 0.77 MEN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed