SCHEMBL4671102

SCHEMBL4671102

COC(=O)C(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.58
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
FPR2 P25090 5/20 0.45
PROKR1 Q8TCW9 5/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ACACB O00763 1/20 0.43
HRH1 P35367 2/20 0.43
CCR3 P51677 2/20 0.43
EPHX2 P34913 3/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4671106 1.00 MMP1 (0.58) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4673324 0.90 MMP1 (0.59) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4673327 0.90 MMP1 (0.59) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4676106 0.89 MMP1 (0.48) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4676107 0.89 MMP1 (0.48) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4671008 0.88 MMP1 (0.74) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4671004 0.88 MMP1 (0.74) MMP1MMP12MMP13FPR2PROKR1
SCHEMBL4671105 0.85 MMP1 (0.81) MMP1FPR2PROKR1LMNAACACB
SCHEMBL4671107 0.85 MMP1 (0.81) MMP1FPR2PROKR1LMNAACACB
SCHEMBL4673329 0.81 MMP1 (0.59) MMP1MMP12MMP13FPR2PROKR1

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