SCHEMBL4676848

SCHEMBL4676848

CC(C)[C@@H](NS(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ADAM17 P78536 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP13 P45452 2/20 0.48
ADAMTS4 O75173 1/20 0.48
ADAM33 Q9BZ11 3/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MMP1 P03956 2/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
RAB9A P51151 1/20 0.45
PTGDR Q13258 1/20 0.45

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
SCHEMBL4676843 1.00 MAPT (0.49) MAPTADAM17KDM4EMMP2MMP9
SCHEMBL4671219 0.91 ADAM17 (0.51) MAPTADAM17KDM4EMMP9MMP13
SCHEMBL4671221 0.91 ADAM17 (0.51) MAPTADAM17KDM4EMMP9MMP13
SCHEMBL4674790 0.89 ADAMTS4 (0.49) MAPTKDM4EMMP13ADAMTS4ALDH1A1
SCHEMBL4674788 0.89 ADAMTS4 (0.49) MAPTKDM4EMMP13ADAMTS4ALDH1A1
SCHEMBL4674652 0.83 ADAMTS4 (0.61) ADAM17MMP2MMP13ADAMTS4
SCHEMBL4674851 0.79 MMP1 (0.57) MAPTMMP2MMP9MMP13MMP1
SCHEMBL4674856 0.79 MMP1 (0.57) MAPTMMP2MMP9MMP13MMP1
SCHEMBL4732545 0.79 MMP1 (0.56) MMP2MMP9MMP13MMP1MMP3
SCHEMBL4732538 0.79 MMP1 (0.56) MMP2MMP9MMP13MMP1MMP3

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