SCHEMBL6318697

SCHEMBL6318697

Cc1cc(COc2ccc(CC3(NC(=O)OC(=O)C(F)(F)F)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.59
MMP12 P39900 2/20 0.59
MMP3 P08254 1/20 0.59
ADAM17 P78536 5/20 0.58
MMP13 P45452 2/20 0.55

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
Trifluoroacetic Acid SCHEMBL6318681 0.90 MMP2 (0.62) MMP2MMP12MMP3ADAM17MMP13
SCHEMBL6318457 0.88 MMP2 (0.61) MMP2MMP12MMP3ADAM17MMP13
SCHEMBL4199718 0.88 MMP2 (0.67) MMP2MMP12MMP3ADAM17
SCHEMBL6321657 0.88 MMP2 (0.54) MMP2MMP12MMP3ADAM17MMP13
SCHEMBL6317450 0.82 ADAM17 (0.55) MMP2MMP12ADAM17MMP13
Trifluoroacetic Acid SCHEMBL6321656 0.79 MMP2 (0.57) MMP2MMP12MMP3ADAM17MMP13
SCHEMBL6321457 0.78 ADAM17 (0.74) MMP2MMP12MMP3ADAM17MMP13
Trifluoroacetic Acid SCHEMBL3966506 0.77 MMP2 (0.71) MMP2MMP12MMP3ADAM17
SCHEMBL6322313 0.77 ADAM17 (0.69) MMP2MMP12MMP3ADAM17MMP13
Trifluoroacetic Acid SCHEMBL3964730 0.77 MMP2 (0.91) MMP2MMP12MMP3ADAM17

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-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP1, ADAMTS1 MMP2 6/4885MMP12 26/4885MMP3 5/4885

“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.