Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3967642

CC1(C(N)=O)C(=O)NC(=O)NC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.33
MMP8 P22894 3/20 0.33
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
MMP9 P14780 4/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL3974102 0.86 MMP9 (0.38) MMP2MMP8MMP9TP53TSHR
Trifluoroacetic Acid SCHEMBL3967648 0.78 MMP2 (0.36) MMP2MMP8F2F11PRSS1
Trifluoroacetic Acid SCHEMBL29391547 0.71 F2 (0.32) F2F11PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3499424 0.67
Barbituric Acid SCHEMBL31579401 0.66 ITGB3 (0.40)
Trifluoroacetic Acid SCHEMBL937102 0.65 LMNA (0.53) F2F11PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL29921600 0.65 LMNA (0.53) F2F11PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL22557988 0.65 LMNA (0.53) F2F11PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5744812 0.65 LMNA (0.53) F2F11PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL15533970 0.64 ACHE (0.54) F2F11PRSS1PRSS2PRSS3

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 6/4885MMP8 24/4885F2 497/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 MMP2 8/4885MMP8 20/4885F2 967/4885

“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.