SCHEMBL7874056

SCHEMBL7874056

COc1ccc(S(=O)(=O)CC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NO)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.64
MMP9 P14780 4/20 0.45
MMP1 P03956 4/20 0.45
MMP2 P08253 3/20 0.43
ADAM17 P78536 1/20 0.43
MMP7 P09237 2/20 0.43
MMP12 P39900 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
SCHEMBL7867020 0.90 MMP13 (0.53) MMP13MMP9MMP1MMP2
SCHEMBL7868827 0.89 MMP13 (0.78) MMP13MMP9MMP1MMP2MMP7
SCHEMBL7869993 0.87 MMP13 (0.60) MMP13MMP9MMP1MMP2ADAM17
SCHEMBL7868902 0.85 MMP13 (0.59) MMP13MMP9MMP1MMP2MMP7
SCHEMBL7868903 0.83 MMP13 (0.56) MMP13MMP9MMP1MMP2
SCHEMBL7867074 0.83 MMP13 (0.51) MMP13MMP2
SCHEMBL7868899 0.82 MMP13 (0.53) MMP13MMP9MMP1MMP2MMP12
SCHEMBL7870725 0.81 MMP13 (0.56) MMP13MMP9MMP1MMP2MMP12
SCHEMBL7867098 0.81 MMP13 (0.58) MMP13MMP9MMP1MMP2
SCHEMBL7181926 0.80 MMP13 (0.75) MMP13MMP9MMP1MMP2ADAM17

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