SCHEMBL4673963

SCHEMBL4673963

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)[C@@H](C(=O)NO)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.52
MMP3 P08254 4/20 0.52
MMP9 P14780 3/20 0.52
MMP7 P09237 3/20 0.52
MMP13 P45452 6/20 0.47
ADAM17 P78536 2/20 0.42
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MMP8 P22894 2/20 0.40
NAMPT P43490 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
MMP2 P08253 1/20 0.38

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
SCHEMBL4676634 0.85 LMNA (0.43) MMP1MMP3MMP9MMP7MMP13
SCHEMBL7447815 0.85 LMNA (0.43) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4671560 0.85 LMNA (0.43) MMP1MMP3MMP9MMP7MMP13
SCHEMBL8149255 0.82 MMP1 (0.47) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4675079 0.81 MMP3 (0.50) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4673925 0.81 LMNA (0.43) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4674820 0.81 LMNA (0.43) MMP1MMP3MMP9MMP7MMP13
SCHEMBL27560678 0.81 MMP1 (0.75) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4671727 0.80 MMP2 (0.41) MMP3LMNATHRBMMP2
SCHEMBL4731774 0.80 MMP2 (0.41) MMP3LMNATHRBMMP2

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