SCHEMBL7867129

SCHEMBL7867129

Cc1ccc(C#Cc2ccc(S(=O)(=O)C[C@H](O)C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.52
ALDH1A1 P00352 7/20 0.49
MMP2 P08253 4/20 0.49
MMP3 P08254 2/20 0.49
MMP13 P45452 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
FFAR1 O14842 2/20 0.46
RECQL P46063 1/20 0.43
ACACB O00763 1/20 0.43
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7868862 1.00 MMP9 (0.52) MMP9ALDH1A1MMP2MMP3MMP13
SCHEMBL7862162 0.85 MMP9 (0.56) MMP9ALDH1A1MMP2MMP3MMP13
SCHEMBL7870903 0.79 MMP2 (0.51) MMP9MMP2MMP3MMP13FFAR1
SCHEMBL7870896 0.76 MMP2 (0.53) MMP9ALDH1A1MMP2MMP3MMP13
SCHEMBL6378071 0.76 ALDH1A1 (0.53) MMP9ALDH1A1MMP2MMP3MMP13
SCHEMBL7492571 0.76 HSD11B1 (0.49) MMP9MMP2MMP3CYP2C19MEN1
SCHEMBL7492579 0.76 HSD11B1 (0.49) MMP9MMP2MMP3CYP2C19MEN1
SCHEMBL8521710 0.74 HTT (0.58) MMP9ALDH1A1MMP2MMP3MMP13
SCHEMBL7867132 0.73 MMP9 (0.49) MMP9ALDH1A1MMP2MMP3MMP13
SCHEMBL6690104 0.73 ALDH1A1 (0.55) MMP9ALDH1A1MMP2MMP13CA12

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