SCHEMBL4674334

SCHEMBL4674334

COC(=O)CNS(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.47
CA2 P00918 9/20 0.47
CA14 Q9ULX7 8/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 3/20 0.42
TET2 Q6N021 1/20 0.41
CA1 P00915 7/20 0.41
CA9 Q16790 7/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA7 P43166 2/20 0.36

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
SCHEMBL966840 0.80 GAA (0.50) CA12CA2CA14GAAALDH1A1
SCHEMBL8930152 0.78 CA12 (0.48) CA12CA2CA14GAAKDM4E
SCHEMBL2583703 0.78 CA12 (0.48) CA12CA2CA14GAAKDM4E
SCHEMBL15592453 0.76 CA12 (0.47) CA12CA2CA14GAAKDM4E
SCHEMBL22475391 0.76 CA12 (0.47) CA12CA2CA14GAAKDM4E
SCHEMBL7840740 0.76 CA12 (0.52) CA12CA2CA14GAAKDM4E
SCHEMBL24638035 0.75
SCHEMBL21540832 0.74 CA12 (0.42) CA12CA2CA14GAAKDM4E
SCHEMBL15489370 0.73 GRIA1 (0.45) CA12CA2CA14GAAKDM4E
SCHEMBL25039078 0.73 CA12 (0.53) CA12CA2CA14GAAKDM4E

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