SCHEMBL4676874

SCHEMBL4676874

COC(=O)[C@@H](C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
CA12 O43570 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA1 P00915 2/20 0.47
STS P08842 1/20 0.47
ALOX5 P09917 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABL1 P00519 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
SCHEMBL4676868 1.00 KMT2A (0.51) KMT2AMAPTCA12CA2CA9
SCHEMBL4673278 0.86 KMT2A (0.49) KMT2AMAPTCA12CA2CA9
SCHEMBL4675351 0.86 KMT2A (0.49) KMT2AMAPTCA12CA2CA9
SCHEMBL4673723 0.81 MEN1 (0.52) KMT2AMAPTLMNASMN1; SMN2MEN1
SCHEMBL4673727 0.81 MEN1 (0.52) KMT2AMAPTLMNASMN1; SMN2MEN1
SCHEMBL4673444 0.80 MMP1 (0.53) KMT2AMAPTCA12CA2CA9
SCHEMBL4673443 0.80 MMP1 (0.53) KMT2AMAPTCA12CA2CA9
SCHEMBL27979652 0.75 CA12 (0.71) KMT2AMAPTCA12CA2CA9
SCHEMBL18394963 0.74 POLB (0.56) MAPTCA12CA2CA9CA1
SCHEMBL7319451 0.73 KMT2A (0.50) KMT2AMAPTCA12CA2CA9

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