SCHEMBL4673631

SCHEMBL4673631

CC(C)CC(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.77
FPR2 P25090 1/20 0.48
PROKR1 Q8TCW9 1/20 0.48
NAMPT P43490 3/20 0.39
TDO2 P48775 1/20 0.38
LIPE Q05469 1/20 0.38
ACACB O00763 1/20 0.37
IP6K1 Q92551 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4673634 1.00 MMP1 (0.77) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4670756 0.87 MMP1 (1.00) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4670757 0.87 MMP1 (1.00) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4671029 0.81 MMP1 (0.71) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4671034 0.81 MMP1 (0.71) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4670721 0.81 MMP1 (0.82) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4670786 0.81 MMP1 (0.82) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4671107 0.80 MMP1 (0.81) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4671105 0.80 MMP1 (0.81) MMP1FPR2PROKR1NAMPTTDO2
SCHEMBL4671268 0.80 MMP1 (0.48) MMP1GPR119ALDH1A1KMT2A

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 6 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