SCHEMBL7533849

SCHEMBL7533849

CC(SCc1ccccn1)C(C(=O)NO)N(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.46
MMP9 P14780 15/20 0.46
MMP13 P45452 14/20 0.46
MMP2 P08253 13/20 0.46
MMP8 P22894 11/20 0.46
ADAM17 P78536 3/20 0.46
MMP3 P08254 3/20 0.46
MMP14 P50281 2/20 0.46
MMP16 P51512 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
KCNA5 P22460 1/20 0.40
DUT P33316 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
SCHEMBL7533847 1.00 MMP1 (0.46) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7539821 0.91 MMP1 (0.46) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7539814 0.91 MMP1 (0.46) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7536302 0.83 MMP13 (0.54) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7536309 0.83 MMP13 (0.54) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7532945 0.83 MMP9 (0.44) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7532942 0.83 MMP9 (0.44) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7536735 0.83 BMP1 (0.51) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7536737 0.83 BMP1 (0.51) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7535907 0.81 MMP9 (0.48) MMP1MMP9MMP13MMP2MMP8

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