SCHEMBL4673790

SCHEMBL4673790

O=C(NCCCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
ADAM10 O14672 1/20 0.53
MMP14 P50281 1/20 0.53
ADAM17 P78536 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP13 P45452 1/20 0.53
FOLH1 Q04609 3/20 0.50
TGM2 P21980 9/20 0.46
TGM6 O95932 1/20 0.46
F13A1 P00488 1/20 0.46
TGM1 P22735 1/20 0.46
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL4673787 1.00 MMP2 (0.64) MMP2MMP9ADAM10MMP14ADAM17
SCHEMBL4673956 0.93 MMP2 (0.62) MMP2MMP9ADAM10MMP14ADAM17
SCHEMBL4673954 0.93 MMP2 (0.62) MMP2MMP9ADAM10MMP14ADAM17
SCHEMBL4674246 0.92 MMP2 (0.59) MMP2MMP9ADAM10MMP14ADAM17
SCHEMBL4673538 0.79 MMP2 (0.55) MMP2MMP9MMP14
SCHEMBL4673540 0.79 MMP2 (0.55) MMP2MMP9MMP14
SCHEMBL7894794 0.76 MMP2 (0.73) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6122901 0.75 MMP2 (0.90) MMP2MMP9ADAM10MMP14ADAM17
SCHEMBL25406900 0.75 FOLH1 (0.71) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6122291 0.73 MMP2 (0.68) MMP2MMP9MMP1MMP3MMP7

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