SCHEMBL4671108

SCHEMBL4671108

N#CCS(=O)(=O)c1ccc2[nH]cc(C3CCN(C(=O)OCc4ccccc4)CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR6 P50406 1/20 0.43
CYP2C19 P33261 1/20 0.42
F13A1 P00488 2/20 0.42
TGM2 P21980 2/20 0.42
TGM1 P22735 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL4676594 0.84 SLC6A4 (0.53) JAK2JAK1TYK2JAK3OPRM1
SCHEMBL8096479 0.76 HSD11B1 (0.55) OPRM1OPRK1OPRL1SMN1; SMN2NPC1
SCHEMBL4675631 0.75 APP (0.51) HTR6HTR1B
SCHEMBL5328392 0.73 OPRM1 (0.46) JAK2JAK1TYK2JAK3OPRM1
SCHEMBL17381784 0.73 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL8553210 0.73 OPRM1 (0.51) JAK2JAK1TYK2JAK3OPRM1
SCHEMBL5322832 0.72 HTR1D (0.54) HTR1DHTR1B
SCHEMBL5331468 0.72 HTR1D (0.54) BTKHTR1DHTR1B
SCHEMBL5261590 0.71 SFRP1 (0.49) HTR6KDM4EPOLBBRD4ALDH1A1
SCHEMBL5705170 0.70 KDM4E (0.62) OPRM1OPRK1OPRL1CYP2C19KDM4E

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