SCHEMBL3967749

SCHEMBL3967749

Cc1cc(COc2ccc(NC(=O)C(OC(=O)C(F)(F)F)C3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.57
MMP13 P45452 2/20 0.56
MMP2 P08253 3/20 0.53
MMP1 P03956 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 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
SCHEMBL3972363 0.89 ADAM17 (0.51) ADAM17MMP13MMP2MMP1MMP9
Trifluoroacetic Acid SCHEMBL3967748 0.81 ADAM17 (0.61) ADAM17MMP13
SCHEMBL3974118 0.79 ADAM17 (0.67) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL3972357 0.77 ADAM17 (0.55) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL4051714 0.76 ADAM17 (0.71) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6318697 0.75 MMP2 (0.59) ADAM17MMP13MMP2MMP12
SCHEMBL3966497 0.74 ADAM17 (0.60) ADAM17MMP13MMP2MMP1MMP9
Trifluoroacetic Acid SCHEMBL3975656 0.74 ADAM17 (0.64) ADAM17MMP13MMP2MMP12
Trifluoroacetic Acid SCHEMBL6318681 0.74 MMP2 (0.62) ADAM17MMP13MMP2MMP12
SCHEMBL4056975 0.74 MMP2 (0.54) ADAM17MMP13MMP2MMP1MMP9

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
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 ADAM17 38/4885MMP13 4/4885MMP2 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.