SCHEMBL4671541

SCHEMBL4671541

N#Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)N4CCN(CC(F)(F)F)C[C@@H]4C(=O)NO)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
SLC6A4 P31645 10/20 0.40
RORC P51449 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1D P28221 1/20 0.38
ADAM10 O14672 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
CCR2 P41597 1/20 0.37

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
SCHEMBL4676985 0.84 SLC6A4 (0.50) SLC6A4RORCSLC6A2SLC6A3ADAM10
SCHEMBL4670825 0.83 SLC6A4 (0.43) SLC6A4RORCSLC6A2SLC6A3ADAM10
SCHEMBL4671379 0.82 SLC6A4 (0.47) SLC6A4RORCSLC6A2SLC6A3ADAM10
SCHEMBL7507629 0.82 SLC6A4 (0.47) SLC6A4RORCSLC6A2SLC6A3ADAM10
SCHEMBL7447466 0.79 OPRM1 (0.53) SLC6A4HTR1D
SCHEMBL4675424 0.79 OPRM1 (0.53) SLC6A4HTR1D
SCHEMBL7499472 0.76 SLC6A4 (0.52) SLC6A4RORCSLC6A2SLC6A3
SCHEMBL4670906 0.75 HSD11B1 (0.49) HTR1DCCR2
SCHEMBL4673740 0.74 USP5 (0.42) MMP9CCR2
SCHEMBL7448712 0.74 DRD2 (0.46) SLC6A4KCNH2HTR1DCCR2

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