SCHEMBL7536979

SCHEMBL7536979

CN([C@H](CSCc1cc(CO)on1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.51
MMP1 P03956 12/20 0.51
MMP9 P14780 9/20 0.51
ADAM17 P78536 4/20 0.51
MMP2 P08253 4/20 0.41
MMP3 P08254 1/20 0.41
DUT P33316 1/20 0.41
BMP1 P13497 1/20 0.40
RAF1 P04049 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL7536984 1.00 MMP13 (0.51) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7533835 0.83 BMP1 (0.49) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7533839 0.83 BMP1 (0.49) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7538443 0.83 BMP1 (0.49) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7538438 0.83 BMP1 (0.49) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7532306 0.82 MMP13 (0.64) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7532310 0.82 MMP13 (0.64) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7534128 0.81 MMP13 (0.57) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7534131 0.81 MMP13 (0.57) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7533478 0.79 MMP13 (0.53) MMP13MMP1MMP9ADAM17MMP2

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-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US claimed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO claimed
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US disclosed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO disclosed