SCHEMBL5251122

SCHEMBL5251122

Cc1cc(COc2ccc(C(=O)NC(C)(C)Cc3n[nH]c(=S)[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.59
MMP12 P39900 5/20 0.59
MMP13 P45452 3/20 0.59
MMP2 P08253 5/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 2/20 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
SCHEMBL5251185 0.86 ADAM17 (0.62) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5252129 0.84 ADAM17 (0.61) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5249328 0.83 ADAM17 (0.59) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5866619 0.80 ADAM17 (0.71) ADAM17MMP3MMP7
SCHEMBL5255328 0.78 MMP3 (0.81) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5250124 0.78 MMP2 (0.61) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5253094 0.77 ADAM17 (0.73) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5250139 0.77 ADAM17 (0.54) ADAM17MMP12MMP13MMP2MMP3
Trifluoroacetic Acid SCHEMBL5866692 0.76 MMP3 (0.74) ADAM17MMP12MMP13MMP2MMP3
SCHEMBL5866634 0.76 ADAM17 (0.67) ADAM17MMP12MMP13MMP7

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 10 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 claimed
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 claimed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP claimed
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 claimed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed
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