SCHEMBL6209159

SCHEMBL6209159

Cc1cc(COc2ccc(S(=O)(=O)N3CCCC3[C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.59
MMP13 P45452 2/20 0.55
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52

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
SCHEMBL6212880 1.00 ADAM17 (0.59) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6210662 0.98 ADAM17 (0.59) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6371065 0.98 ADAM17 (0.59) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6209611 0.82 ADAM17 (0.56) ADAM17MMP13
SCHEMBL6209862 0.81 ADAM17 (0.63) ADAM17MMP13MMP2MMP9
SCHEMBL6209502 0.81 ADAM17 (0.64) ADAM17MMP13MMP2
SCHEMBL6210993 0.80 ADAM17 (0.54) ADAM17
SCHEMBL6209088 0.79 ADAM17 (0.60) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7057241 0.78 ADAM17 (0.76) ADAM17MMP13
SCHEMBL6364792 0.78 ADAM17 (0.61) ADAM17MMP13MMP1MMP2

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-1539740-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed