SCHEMBL4674652

SCHEMBL4674652

CC(C)[C@@H](NS(=O)(=O)N1CCN(c2ccc(OCc3ccncc3)cc2)CC1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 18/20 0.61
MMP13 P45452 8/20 0.61
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MMP2 P08253 2/20 0.45
MMP14 P50281 2/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
ADAM17 P78536 1/20 0.44

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
SCHEMBL4671221 0.91 ADAM17 (0.51) ADAMTS4MMP13ITGB3ITGA2BADAM17
SCHEMBL4671219 0.91 ADAM17 (0.51) ADAMTS4MMP13ITGB3ITGA2BADAM17
SCHEMBL4674790 0.83 ADAMTS4 (0.49) ADAMTS4MMP13
SCHEMBL4674788 0.83 ADAMTS4 (0.49) ADAMTS4MMP13
SCHEMBL4677313 0.83 ADAMTS4 (0.49) ADAMTS4MMP13
SCHEMBL4677317 0.83 ADAMTS4 (0.49) ADAMTS4MMP13
SCHEMBL4676848 0.83 MAPT (0.49) ADAMTS4MMP13MMP2ADAM17
SCHEMBL4676843 0.83 MAPT (0.49) ADAMTS4MMP13MMP2ADAM17
SCHEMBL13591209 0.78 MEN1 (0.52) MMP13MMP2MMP14ADAMTS5
SCHEMBL13409570 0.78 MAPT (0.50) ADAMTS4MMP13MMP2MMP14ADAMTS5

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed