SCHEMBL5219746

SCHEMBL5219746

Cc1cc(COc2ccc(C(=O)NCC3(C(=O)O)CC3)cc2)c2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.67
ADAM17 P78536 3/20 0.67
MMP12 P39900 2/20 0.67
MMP3 P08254 1/20 0.66

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
SCHEMBL6595866 0.92 ADAM17 (0.64) MMP2ADAM17MMP12MMP3
SCHEMBL6598271 0.87 ADAM17 (0.68) MMP2ADAM17MMP12MMP3
SCHEMBL6596288 0.86 ADAM17 (0.69) MMP2ADAM17MMP12MMP3
SCHEMBL6595704 0.86 ADAM17 (0.69) MMP2ADAM17MMP12MMP3
SCHEMBL7404737 0.82 ADAM17 (0.53) MMP2ADAM17MMP12MMP3
SCHEMBL6598962 0.82 ADAM17 (0.71) MMP2ADAM17MMP12
SCHEMBL6594802 0.82 ADAM17 (0.71) MMP2ADAM17MMP12MMP3
SCHEMBL3968857 0.82 MMP2 (0.80) MMP2ADAM17MMP12MMP3
SCHEMBL1504768 0.82 ADAM17 (0.64) MMP2ADAM17MMP12MMP3
SCHEMBL6598171 0.82 ADAM17 (0.71) MMP2ADAM17MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP disclosed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US disclosed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
US-20040116491-A1 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-17 US disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed