SCHEMBL5221455

SCHEMBL5221455

COC(=O)CC1(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.85
MMP13 P45452 1/20 0.62

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
SCHEMBL6600428 0.92 ADAM17 (1.00) ADAM17MMP13
SCHEMBL6595702 0.91 ADAM17 (0.71) ADAM17
SCHEMBL6599222 0.87 ADAM17 (0.72) ADAM17
SCHEMBL6598125 0.85 ADAM17 (0.87) ADAM17MMP13
SCHEMBL5253094 0.85 ADAM17 (0.73) ADAM17MMP13
SCHEMBL5219500 0.84 ADAM17 (0.83) ADAM17MMP13
SCHEMBL6597697 0.83 ADAM17 (0.84) ADAM17MMP13
SCHEMBL6595325 0.83 ADAM17 (0.74) ADAM17MMP13
SCHEMBL6598627 0.83 ADAM17 (0.84) ADAM17MMP13
SCHEMBL6596061 0.83 ADAM17 (0.84) ADAM17MMP13

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