SCHEMBL4674696

SCHEMBL4674696

CC(C)(C)OC(=O)N1CCC(c2cn(S(=O)(=O)CC[Si](C)(C)C)c3ccc(F)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
PLK1 P53350 2/20 0.43
GPR119 Q8TDV5 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD3 Q15059 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL27510527 0.79 DRD2 (0.58) SCN9APLK1SMN1; SMN2BRD3
Sulfamate SCHEMBL27480106 0.77 HTR6 (0.56) PLK1HTR6
SCHEMBL7444565 0.76 BRD3 (0.50) PLK1GPR119SMN1; SMN2LMNABRD3
SCHEMBL4676560 0.73 DRD2 (0.42) HTR6
SCHEMBL5705111 0.72 SCN9A (0.52) SCN9AGPR119HTR6
SCHEMBL20438978 0.71 SMN1; SMN2 (0.59) GPR119SMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL23228680 0.71 SMN1; SMN2 (0.49) SCN9AGPR119SMN1; SMN2ALDH1A1LMNA
SCHEMBL29923819 0.71 IDO1 (0.58) GPR119SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL21034703 0.71 IDO1 (0.58) GPR119SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL3547383 0.71 SMN1; SMN2 (0.53) GPR119SMN1; SMN2ALDH1A1LMNACYP3A4

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