SCHEMBL6136045

SCHEMBL6136045

Cc1cc(COc2ccc(Sc3ccsc3C3C(=O)NC(=O)N3OC(=O)C(F)(F)F)cc2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.43
MMP13 P45452 1/20 0.41
MMP2 P08253 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
SCHEMBL6136199 0.86 MMP12 (0.44) ADAM17MMP13
SCHEMBL5887400 0.85 ADAM17 (0.46) ADAM17MMP13MMP2
SCHEMBL5887792 0.85 ADAM17 (0.42) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL6136039 0.82 ADAM17 (0.48) ADAM17MMP13MMP2
SCHEMBL5887843 0.80 ADAM17 (0.43) ADAM17MMP13MMP2
SCHEMBL5887576 0.78 ADAM17 (0.50) ADAM17MMP13MMP2
SCHEMBL5887640 0.76 ADAM17 (0.46) ADAM17MMP13MMP2
SCHEMBL6099593 0.74 ADAM17 (0.46) ADAM17MMP13MMP2
SCHEMBL5035186 0.72 ADAM17 (0.45) ADAM17MMP13MMP2
SCHEMBL5035414 0.72 ADAM17 (0.43) ADAM17MMP13MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed