SCHEMBL4673740

SCHEMBL4673740

O=C(NO)[C@H]1CN(CC(F)(F)F)CCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.42
MMP3 P08254 5/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR2 P41597 3/20 0.36
MMP1 P03956 4/20 0.36
MMP7 P09237 3/20 0.36
MMP9 P14780 3/20 0.36
MMP13 P45452 3/20 0.36
DRD2 P14416 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL4671727 0.80 MMP2 (0.41) MMP3MAPT
SCHEMBL4731774 0.80 MMP2 (0.41) MMP3MAPT
SCHEMBL4673474 0.80 MMP1 (0.53) USP5MMP3ALDH1A1CYP3A4MAPT
SCHEMBL4676908 0.80 MMP1 (0.41) USP5MMP3ALDH1A1MAPTMMP1
SCHEMBL4673266 0.80 USP5 (0.41) USP5MMP3MAPTMMP1MMP7
SCHEMBL7499676 0.80 MMP1 (0.41) USP5MMP3ALDH1A1MAPTMMP1
SCHEMBL4675374 0.80 SMN1; SMN2 (0.45) USP5MMP3ALDH1A1MAPTMMP1
SCHEMBL4676535 0.78 MMP1 (0.52) USP5MMP3ALDH1A1MMP1MMP7
SCHEMBL4674173 0.76 TP53 (0.46) MMP3ALDH1A1MAPTMMP1MMP7
SCHEMBL7447466 0.70 OPRM1 (0.53) DRD2

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