SCHEMBL8092743

SCHEMBL8092743

C=S(=O)(N[C@H](C(=O)O)C(C)C)c1ccc2c(c1)sc1ccc(-c3cccnc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 19/20 0.52
MMP13 P45452 14/20 0.52
ADAMTS4 O75173 1/20 0.43

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
SCHEMBL3065992 0.91 MMP12 (0.64) MMP12MMP13
SCHEMBL3266042 0.80 MMP12 (0.50) MMP12MMP13
SCHEMBL3077657 0.79 MMP12 (0.66) MMP12MMP13
SCHEMBL3079850 0.79 MMP12 (0.49) MMP12MMP13
SCHEMBL3116953 0.79 MMP12 (0.49) MMP12MMP13
SCHEMBL3077987 0.76 MMP12 (0.62) MMP12MMP13
SCHEMBL3266046 0.76 MMP12 (0.40) MMP12MMP13ADAMTS4
SCHEMBL3084051 0.75 MMP12 (0.64) MMP12MMP13
SCHEMBL3085271 0.75 MMP12 (0.63) MMP12MMP13
SCHEMBL3067254 0.74 MMP12 (0.72) MMP12MMP13ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed