SCHEMBL4672852

SCHEMBL4672852

CC(C)(C)ONC(=O)C(CSc1ccccc1)NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PANK3 Q9H999 1/20 0.36
DRD4 P21917 4/20 0.36
DRD2 P14416 4/20 0.36
MMP1 P03956 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
CHRM1 P11229 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.34
MAPK10 P53779 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4672857 1.00 PPARG (0.38) PPARGPPARDPPARAPANK3DRD4
SCHEMBL4671292 0.87 MMP1 (0.41) PANK3DRD4DRD2MMP1GPR119
SCHEMBL4671294 0.87 MMP1 (0.41) PANK3DRD4DRD2MMP1GPR119
SCHEMBL4675503 0.77 ALDH1A1 (0.41) PANK3DRD4DRD2MMP1ALDH1A1
SCHEMBL4675501 0.77 ALDH1A1 (0.41) PANK3DRD4DRD2MMP1ALDH1A1
SCHEMBL4677803 0.74 DRD4 (0.42) PPARGPPARDPPARAPANK3DRD4
SCHEMBL4677805 0.74 DRD4 (0.42) PPARGPPARDPPARAPANK3DRD4
SCHEMBL4671264 0.73 MMP1 (0.48) PANK3DRD4DRD2MMP1GPR119
SCHEMBL4671268 0.73 MMP1 (0.48) PANK3DRD4DRD2MMP1GPR119
SCHEMBL4672909 0.72 MMP1 (0.46) PANK3DRD4DRD2MMP1GPR119

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