Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2073398

O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.c1ccc(-[n+]2ccccc2)cc1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CES1 P23141 2/20 0.38
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP9 Q86TI2 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
KCNN1 Q92952 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 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
Trifluoroacetic Acid SCHEMBL2160555 0.96 CES1 (0.41) TDP1CES1DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL2073397 0.96 CES1 (0.41) TDP1CES1DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL4413284 0.81 TDP1 (0.39) TDP1CES1KCNN1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL2160765 0.78 TDP1 (0.39) TDP1CES1DPP4DPP7DPP9
Trifluoroacetic Acid SCHEMBL20641374 0.77 TDP1 (0.36) TDP1CES1KCNN1HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL2160769 0.76 CES1 (0.34) TDP1CES1NPSR1KCNN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL30570819 0.74 GPR3 (0.46) MAPT
Trifluoroacetic Acid SCHEMBL2262922 0.73 USP2 (0.37) TDP1CES1NPSR1KCNN1KMT2A
SCHEMBL125499 0.73 MAPT (0.35) TDP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL28558026 0.71 MAPT (0.34) MEN1ALDH1A1MAPTKMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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 (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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 TDP1 362/4885CES1 2207/4885DPP4 2060/4885

“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.