SCHEMBL4676047

SCHEMBL4676047

Cc1cc(C2=CCN(S(=O)(=O)N3CCCC[C@@H]3C(=O)NO)CC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.46
MMP2 P08253 12/20 0.46
MMP1 P03956 3/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40
MMP9 P14780 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4671682 0.90 MMP2 (0.43) MMP3MMP2CCNT1CDK9LMNA
SCHEMBL4671681 0.90 MMP2 (0.43) MMP3MMP2CCNT1CDK9LMNA
SCHEMBL4674941 0.87 MMP1 (0.48) MMP3MMP2MMP1CCNT1CDK9
SCHEMBL4675047 0.85 MMP1 (0.48) MMP3MMP2MMP1HCRTR1HCRTR2
SCHEMBL4671598 0.83 MMP2 (0.41) MMP3MMP2CCNT1CDK9HCRTR1
SCHEMBL4676814 0.79 MMP3 (0.51) MMP3MMP2MMP1MMP7MMP13
SCHEMBL4674089 0.78 MMP2 (0.43) MMP3MMP2CCNT1CDK9LMNA
SCHEMBL4674088 0.78 MMP2 (0.43) MMP3MMP2CCNT1CDK9LMNA
SCHEMBL4675090 0.75 ADAM17 (0.50) MMP3MMP2MMP1MMP13LMNA
SCHEMBL4676634 0.73 LMNA (0.43) MMP3MMP2MMP1MMP7MMP13

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 6 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