Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2072297

O=C(O)C(F)(F)F.c1ccc2cc(-n3ccnc3)ccc2c1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.73
CYP11B2 P19099 3/20 0.73
CYP19A1 P11511 2/20 0.73
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
NCOA3 Q9Y6Q9 1/20 0.51
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
ADH5 P11766 2/20 0.46
DHODH Q02127 1/20 0.46
ABL1 P00519 1/20 0.46
IDO1 P14902 1/20 0.46
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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 SCHEMBL4413259 1.00 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL2071832 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1MAOAMAOB
Trifluoromethanesulfonic Acid SCHEMBL23277132 0.85 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1MAOAMAOB
Trifluoroacetic Acid SCHEMBL2073231 0.84 CYP3A4 (0.70) CYP3A4MEN1ALOX15TSHRKMT2A
SCHEMBL9812373 0.77 ADH5 (0.66) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL9812342 0.76 ADH5 (0.64) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL28274864 0.71 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL13045131 0.70 CYP19A1 (1.00) CYP11B1CYP11B2CYP19A1MAOAMAOB
Anthracene SCHEMBL1558998 0.70 CES1 (0.50) MEN1KMT2AIDO1
Naphthalene SCHEMBL29443947 0.70 CES1 (0.54)

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 CYP11B1 567/4885CYP11B2 979/4885CYP19A1 1818/4885

“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.