SCHEMBL7869955

SCHEMBL7869955

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.60
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MMP1 P03956 5/20 0.51
CA2 P00918 2/20 0.50
MMP2 P08253 3/20 0.47
MMP9 P14780 2/20 0.47
CA1 P00915 1/20 0.47
MMP8 P22894 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP3 P08254 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL7207610 0.89 MMP13 (0.56) MMP13HTTNPSR1MMP1CA2
SCHEMBL7862189 0.87 ATM (0.48) MMP13HTTNPSR1MMP1CA2
SCHEMBL7181809 0.86 MMP13 (0.79) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7181926 0.86 MMP13 (0.75) MMP13MMP1CA2MMP2MMP9
SCHEMBL7181803 0.86 MMP13 (0.79) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7867095 0.84 MMP13 (0.64) MMP13HTTNPSR1MMP1CA2
SCHEMBL7208364 0.84 MMP13 (0.52) MMP13HTTNPSR1MMP1CA2
SCHEMBL5125706 0.83 MMP13 (0.59) MMP13KMT2AALDH1A1
SCHEMBL5125714 0.83 MMP13 (0.59) MMP13KMT2AALDH1A1
SCHEMBL7869903 0.82 MMP13 (0.57) MMP13MMP1CA2MMP2MMP9

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