SCHEMBL7533675

SCHEMBL7533675

C[C@@H](O)C(C(=O)NO)N(C)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.53
MMP13 P45452 12/20 0.53
MMP1 P03956 10/20 0.52
ADAM17 P78536 4/20 0.52
MMP2 P08253 7/20 0.50
MMP8 P22894 4/20 0.50
MMP3 P08254 2/20 0.50
MMP14 P50281 1/20 0.50
MMP16 P51512 1/20 0.50
DUT P33316 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TARS1 P26639 1/20 0.42
MMP7 P09237 1/20 0.42

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
SCHEMBL7533681 1.00 MMP9 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7533435 0.92 MMP9 (0.61) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7533437 0.92 MMP9 (0.61) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7535679 0.89 MMP13 (0.51) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7535677 0.89 MMP13 (0.51) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7534320 0.87 MMP9 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7537906 0.87 MMP9 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7537902 0.87 MMP9 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7534325 0.87 MMP9 (0.53) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL7532364 0.83 MMP13 (0.48) MMP9MMP13MMP1ADAM17MMP2

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