Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1580123

CN1CCN(C(=O)/C=C/c2ccc(/C=C/C(=O)O)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.68
▸ GAA P10253 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.62
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48
▸ GPR183 P32249 4/20 0.47

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 SCHEMBL1580125 1.00 POLB (0.68) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL1580033 0.92 POLB (0.79) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL1580034 0.92 POLB (0.79) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL14610112 0.81 POLB (1.00) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL1580935 0.79 GAA (0.73) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL1579608 0.77 GAA (0.71) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL1579611 0.77 GAA (0.71) POLBGAAALDH1A1MAPTKDM4E
SCHEMBL7748548 0.77 POLB (0.59) POLBGAAHPGDMEN1KMT2A
SCHEMBL7748545 0.77 POLB (0.59) POLBGAAHPGDMEN1KMT2A
SCHEMBL1881890 0.76 POLB (0.64) POLBGAAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310364-B1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC SRL (IT) 2013-01-02 — — EP disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 — — US disclosed
EP-2310364-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.r.l. (IT) 2011-04-20 — — EP disclosed
WO-2009150129-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. (IT) 2009-12-17 — — WO disclosed
EP-2133334-A1 Heterocyclic derivatives as HDAC inhibitors DAC S.r.l. (IT) 2009-12-16 — — 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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 POLB 650/4885GAA 3622/4885ALDH1A1 1641/4885

“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.

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