Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3969894

Cc1cc(COc2ccc(C(=O)N[C@@H]3CCC4(C3)C(=O)NC(=O)NC4=O)cc2)c2ccccc2n1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.66
MMP13 P45452 3/20 0.62
ADAM17 P78536 1/20 0.62
MMP12 P39900 5/20 0.60
MMP3 P08254 1/20 0.58

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 SCHEMBL3969077 1.00 MMP2 (0.66) MMP2MMP13ADAM17MMP12MMP3
SCHEMBL3964572 0.95 MMP2 (0.72) MMP2MMP13ADAM17MMP12MMP3
SCHEMBL3968255 0.95 MMP2 (0.72) MMP2MMP13ADAM17MMP12MMP3
Trifluoroacetic Acid SCHEMBL3967595 0.86 MMP2 (0.87) MMP2MMP13ADAM17MMP12
Trifluoroacetic Acid SCHEMBL3968346 0.85 MMP2 (0.91) MMP2MMP13ADAM17MMP12
SCHEMBL3969900 0.81 MMP2 (0.53) MMP2MMP13ADAM17
SCHEMBL3969083 0.81 MMP2 (0.53) MMP2MMP13ADAM17
Trifluoroacetic Acid SCHEMBL6101844 0.81 MMP13 (0.58) MMP2MMP13ADAM17MMP12
Trifluoroacetic Acid SCHEMBL3974872 0.80 MMP2 (0.65) MMP2ADAM17MMP12MMP3
Trifluoroacetic Acid SCHEMBL3966506 0.80 MMP2 (0.71) MMP2ADAM17MMP12MMP3

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 4 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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 (2 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 MMP2 6/4885MMP13 8/4885ADAM17 27/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 MMP2 8/4885MMP13 4/4885ADAM17 38/4885

“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.