SCHEMBL7866993

SCHEMBL7866993

COc1ccc(S(=O)(=O)CC(NC(=O)CN(C(=O)CNC(=O)OC(C)(C)C)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.48
KEAP1 Q14145 5/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MMP9 P14780 2/20 0.37
MMP2 P08253 1/20 0.37
ACE P12821 1/20 0.36
MMP1 P03956 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
BMP1 P13497 1/20 0.36

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
SCHEMBL7868902 0.93 MMP13 (0.59) MMP13MMP9MMP2MMP1BMP1
SCHEMBL7870766 0.89 MMP13 (0.48) MMP13KEAP1HCRTR1HCRTR2MEN1
SCHEMBL7866994 0.86 MMP13 (0.45) MMP13KEAP1HCRTR1HCRTR2MEN1
SCHEMBL7867020 0.85 MMP13 (0.53) MMP13KEAP1PPARGPPARAMMP9
SCHEMBL7870727 0.81 MMP13 (0.60) MMP13HCRTR1HCRTR2MEN1KMT2A
SCHEMBL7867095 0.79 MMP13 (0.64) MMP13KEAP1PPARGPPARAMMP9
SCHEMBL7868903 0.79 MMP13 (0.56) MMP13MMP9MMP2MMP1BMP1
SCHEMBL7866976 0.79 MMP13 (0.44) MMP13KEAP1HCRTR1HCRTR2MEN1
SCHEMBL7867074 0.77 MMP13 (0.51) MMP13MMP2POLBMAPT
SCHEMBL7874056 0.76 MMP13 (0.64) MMP13MMP9MMP2MMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed