SCHEMBL4953617

SCHEMBL4953617

CS(=O)(=O)Nc1cccc(S(=O)(=O)CC2CS2)c1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 18/20 0.52
▸ MMP9 P14780 18/20 0.52
▸ MMP14 P50281 16/20 0.52
▸ MMP8 P22894 8/20 0.52
▸ MMP3 P08254 7/20 0.52
▸ MMP7 P09237 4/20 0.52
▸ MMP1 P03956 3/20 0.52
▸ ADAM17 P78536 1/20 0.52
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 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
SCHEMBL2381076 0.76 MMP2 (0.69) MMP2MMP9MMP14MMP8MMP3
SCHEMBL315578 0.75 MMP2 (0.65) MMP2MMP9MMP14MMP8MMP3
SCHEMBL4953626 0.74 PGR (0.42) MMP1NR3C1PGR
SCHEMBL2381073 0.70 MMP2 (0.78) MMP2MMP9MMP14MMP8MMP3
SCHEMBL2684163 0.69 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP3
SCHEMBL2380308 0.69 MMP2 (0.76) MMP2MMP9MMP14MMP8MMP3
SCHEMBL315716 0.69 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP3
SCHEMBL7063318 0.66 TSHR (0.54) NR3C1PGR
SCHEMBL10238412 0.66 MMP2 (0.56) MMP2MMP9MMP14MMP8MMP3
SCHEMBL8719438 0.66 PTGS2 (0.68) MMP1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 — — EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 — — WO disclosed
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