SCHEMBL7869903

SCHEMBL7869903

COc1ccc(S(=O)(=O)CC(NC(C)=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.57
TACR1 P25103 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
ATM Q13315 1/20 0.47
MMP2 P08253 3/20 0.47
MMP3 P08254 2/20 0.47
MMP1 P03956 3/20 0.46
MMP9 P14780 2/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7868834 0.87 MMP13 (0.61) MMP13CA1CA2ACHEATM
SCHEMBL7874114 0.86 MMP13 (0.57) MMP13CA1CA2ACHEATM
SCHEMBL7207610 0.85 MMP13 (0.56) MMP13CA1CA2MMP2MMP1
SCHEMBL8601705 0.83 MMP13 (0.49) MMP13CA1CA2ACHEATM
SCHEMBL8601707 0.83 MMP13 (0.49) MMP13CA1CA2ACHEATM
SCHEMBL7869955 0.82 MMP13 (0.60) MMP13CA1CA2MMP2MMP3
SCHEMBL7867074 0.82 MMP13 (0.51) MMP13CA1CA2ACHEATM
SCHEMBL7862144 0.82 MMP13 (0.48) MMP13CA1CA2ACHEATM
Hydrochloric Acid SCHEMBL7862140 0.81 MMP13 (0.47) MMP13CA1CA2ACHEATM
SCHEMBL7866976 0.80 MMP13 (0.44) MMP13CA1CA2ACHEMMP2

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