SCHEMBL4673443

SCHEMBL4673443

CC(C)C(NS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
KMT2A Q03164 3/20 0.47
CA12 O43570 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
CA1 P00915 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PANK3 Q9H999 2/20 0.43
STS P08842 1/20 0.43
OGA O60502 1/20 0.43
ALOX5 P09917 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
SCHEMBL4673444 1.00 MMP1 (0.53) MMP1KMT2ACA12CA2CA9
SCHEMBL4675351 0.89 KMT2A (0.49) KMT2ACA12CA2CA9LMNA
SCHEMBL4673278 0.89 KMT2A (0.49) KMT2ACA12CA2CA9LMNA
SCHEMBL4674856 0.82 MMP1 (0.57) MMP1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL4674851 0.82 MMP1 (0.57) MMP1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL4676868 0.80 KMT2A (0.51) KMT2ACA12CA2CA9LMNA
SCHEMBL4676874 0.80 KMT2A (0.51) KMT2ACA12CA2CA9LMNA
SCHEMBL4671008 0.75 MMP1 (0.74) MMP1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL4671004 0.75 MMP1 (0.74) MMP1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL4673508 0.75 MMP1 (0.65) MMP1KMT2APANK3

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 5 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