SCHEMBL4732545

SCHEMBL4732545

CC(C)[C@@H](NS(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.56
MMP2 P08253 3/20 0.56
MMP3 P08254 3/20 0.56
MMP7 P09237 3/20 0.56
MMP9 P14780 3/20 0.56
MMP13 P45452 3/20 0.56
PANK3 Q9H999 1/20 0.45
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
EP300 Q09472 1/20 0.42

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
SCHEMBL4732538 1.00 MMP1 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL4674851 0.85 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4674856 0.85 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4676843 0.79 MAPT (0.49) MMP1MMP2MMP3MMP7MMP9
SCHEMBL4676848 0.79 MAPT (0.49) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13392306 0.77 AKR1C3 (0.43) MMP1MMP2MMP3MMP7MMP9
SCHEMBL4671219 0.77 ADAM17 (0.51) MMP1MMP3MMP9MMP13
SCHEMBL4671221 0.77 ADAM17 (0.51) MMP1MMP3MMP9MMP13
SCHEMBL13392309 0.76 AKR1C3 (0.42) MMP1
SCHEMBL13591209 0.74 MEN1 (0.52) MMP1MMP2MMP3MMP7MMP9

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