SCHEMBL4673540

SCHEMBL4673540

O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.55
ADAMTS5 Q9UNA0 2/20 0.55
POLB P06746 2/20 0.53
MMP14 P50281 1/20 0.52
ITGA4 P13612 3/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN11 Q06124 1/20 0.47
DRD4 P21917 1/20 0.47
GRM5 P41594 1/20 0.46
MMP9 P14780 3/20 0.45
ADAMTS4 O75173 1/20 0.45
GFER P55789 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4673538 1.00 MMP2 (0.55) MMP2ADAMTS5POLBMMP14ITGA4
SCHEMBL6418857 0.86 MMP2 (0.74) MMP2ADAMTS5POLBMEN1MAPT
SCHEMBL6418848 0.86 MMP2 (0.74) MMP2ADAMTS5POLBMEN1MAPT
Hydrochloric Acid SCHEMBL7468262 0.85 MMP2 (0.73) MMP2ADAMTS5POLBMEN1MAPT
SCHEMBL7332174 0.81 MMP2 (0.51) MMP2ADAMTS5POLBMEN1MAPT
SCHEMBL7385524 0.81 MEN1 (0.61) MMP2MEN1MAPTKMT2AMMP9
SCHEMBL7332179 0.81 MMP2 (0.51) MMP2ADAMTS5POLBMEN1MAPT
SCHEMBL7317104 0.81 MEN1 (0.61) MMP2MEN1MAPTKMT2AMMP9
SCHEMBL8683934 0.80 ALDH1A1 (0.58) MMP2ADAMTS5POLBMEN1MAPT
SCHEMBL4673787 0.79 MMP2 (0.64) MMP2MMP14MMP9

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