Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3967648

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

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.36
MMP8 P22894 5/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TP53 P04637 1/20 0.34
MMP9 P14780 6/20 0.34
LMNA P02545 1/20 0.33
BACE1 P56817 1/20 0.31
F2 P00734 2/20 0.31
F11 P03951 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3974105 0.82 LMNA (0.46) MMP2MMP8TP53MMP9LMNA
Trifluoroacetic Acid SCHEMBL3967642 0.78 MMP2 (0.33) MMP2MMP8HRH4HRH3TP53
SCHEMBL3967646 0.71 ALDH1A1 (0.38) MMP2MMP8TP53MMP9LMNA
Trifluoroacetic Acid SCHEMBL29391547 0.71 F2 (0.32) HRH4HRH3F2F11PRSS1
Trifluoroacetic Acid SCHEMBL4161723 0.68 GSK3A (0.42) HRH4HRH3BACE1F2F11
Trifluoroacetic Acid SCHEMBL359979 0.67 FAAH (0.39) HRH4HRH3FAAHALDH1A1
Trifluoroacetic Acid SCHEMBL6224514 0.67 FAAH (0.39) HRH4HRH3FAAHALDH1A1
SCHEMBL5033111 0.67 LMNA (0.41) MMP2TP53MMP9LMNAALDH1A1
Barbituric Acid SCHEMBL31579401 0.66 ITGB3 (0.40) ALDH1A1
Trifluoroacetic Acid SCHEMBL10619788 0.65 HRH4 (0.41) HRH4HRH3LMNAALDH1A1

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 24/4885HRH4 3213/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 MMP2 8/4885MMP8 20/4885HRH4 3157/4885

“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.