SCHEMBL4671105

SCHEMBL4671105

COC(=O)C(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(C)C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.81
FPR2 P25090 2/20 0.50
PROKR1 Q8TCW9 2/20 0.50
HRH3 Q9Y5N1 2/20 0.38
IP6K1 Q92551 1/20 0.38
NAMPT P43490 3/20 0.38
GPR119 Q8TDV5 2/20 0.38
TDO2 P48775 1/20 0.37
LMNA P02545 1/20 0.37
LIPE Q05469 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL4671107 1.00 MMP1 (0.81) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4670786 0.91 MMP1 (0.82) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4670721 0.91 MMP1 (0.82) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4670757 0.89 MMP1 (1.00) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4670756 0.89 MMP1 (1.00) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4671102 0.85 MMP1 (0.58) MMP1FPR2PROKR1LMNAACACB
SCHEMBL4671106 0.85 MMP1 (0.58) MMP1FPR2PROKR1LMNAACACB
SCHEMBL4673631 0.80 MMP1 (0.77) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4673634 0.80 MMP1 (0.77) MMP1FPR2PROKR1HRH3IP6K1
SCHEMBL4671050 0.80 MMP1 (0.52) MMP1GPR119TRPA1RAB9A

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