Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3684067

CNCC(=O)NO.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC3 O15379 7/20 0.34
HDAC1 Q13547 7/20 0.34
HDAC2 Q92769 7/20 0.34
HDAC8 Q9BY41 7/20 0.34
HDAC6 Q9UBN7 7/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
FOLH1 Q04609 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
HDAC5 Q9UQL6 6/20 0.34

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
SCHEMBL445984 0.83
Trifluoroacetic Acid SCHEMBL27792400 0.79 CTH (0.34) CA2EGLN1CHIT1
Trifluoroacetic Acid SCHEMBL28336879 0.78 CA2 (0.47) CA2CA1KDM4ECHIT1
Trifluoroacetic Acid SCHEMBL2587874 0.76 MCL1 (0.34) CA2CA1HDAC1HDAC6HDAC4
Trifluoroacetic Acid SCHEMBL4276694 0.76 CHIT1 (0.35) CHIT1
Trifluoroacetic Acid SCHEMBL11688514 0.73 CA2 (0.40) MMP1CA2CA1MMP2MMP9
Trifluoroacetic Acid SCHEMBL2435717 0.72 CA2 (0.40) CA2CHIT1
Trifluoroacetic Acid SCHEMBL3955601 0.72 CACNA1B (0.33) HDAC4
Trifluoroacetic Acid SCHEMBL4846623 0.72 CACNA1B (0.33) HDAC4
Trifluoroacetic Acid SCHEMBL504173 0.71 FOLH1 (0.73) MMP1CA2HDAC3HDAC1HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662856-B2 Compositions having antimycrobial activity including a hydroxamate or a hydroxamate and a hydroxlyamine THE UNIVERSITY OF HOUSTON SYSTEM (US) 2010-02-16 US disclosed
US-20080249181-A1 Compositions Having Antimycrobial Activity Including a Hydroxamate or a Hydroxamate and a Hydroxlyamine KOHN HAROLD 2008-10-09 US disclosed
WO-2005020973-A2 COMPOSITIONS HAVING ANTIMYCROBIAL ACTIVITY INCLUDING A HYDROXAMATE OR A HYDROXAMATE AND A HYDROXYLAMINE THE UNIVERSITY OF HOUSTON SYSTEM (US) 2005-03-10 WO disclosed
EP-0337348-B1 Amides of cyclomethylen-1,2-bicarboxylic acids having therapeutical activity, processes for their preparation and pharmaceutical compositions containing them GUIDOTTI & C SPA LABOR (IT) 1994-02-02 EP disclosed
US-5095137-A Hypotensives LABORATORI GUIDOTTI SPA (IT) 1992-03-10 US disclosed
EP-0337348-A2 Amides of cyclomethylen-1,2-bicarboxylic acids having therapeutical activity, processes for their preparation and pharmaceutical compositions containing them Laboratori Guidotti S.p.A. (IT) 1989-10-18 EP 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-20080249181-A1 Compositions Having Antimycrobial Activity Including a Hydroxamate or a Hydroxamate and a Hydroxlyamine CD68, HAAO, HOGA1 MMP1 61/4885CA2 488/4885CA1 741/4885

“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.