SCHEMBL4674790

SCHEMBL4674790

COC(=O)[C@H](NS(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.49
MMP13 P45452 1/20 0.49
MAPT P10636 6/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.46
PTGDR Q13258 1/20 0.45
PKM P14618 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL4674788 1.00 ADAMTS4 (0.49) ADAMTS4MMP13MAPTKDM4EALDH1A1
SCHEMBL4676843 0.89 MAPT (0.49) ADAMTS4MMP13MAPTKDM4EALDH1A1
SCHEMBL4676848 0.89 MAPT (0.49) ADAMTS4MMP13MAPTKDM4EALDH1A1
SCHEMBL13392314 0.86 ALDH1A1 (0.45) MAPTALDH1A1HTTRAB9APKM
SCHEMBL4674652 0.83 ADAMTS4 (0.61) ADAMTS4MMP13
SCHEMBL13591208 0.81 MEN1 (0.47) MMP13MAPTLMNA
SCHEMBL13913876 0.80 ADAMTS4 (0.47) ADAMTS4MMP13MAPTKDM4EALDH1A1
SCHEMBL4671221 0.80 ADAM17 (0.51) ADAMTS4MMP13MAPTKDM4E
SCHEMBL4671219 0.80 ADAM17 (0.51) ADAMTS4MMP13MAPTKDM4E
SCHEMBL4393669 0.80 CA12 (0.42) MAPTALDH1A1HTTLMNARAB9A

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