Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1482907

CN1CCN(Cc2cccc(C(=O)/C=C/c3ccc(/C=C/C(=O)O)nc3)c2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.73
HDAC4 P56524 14/20 0.73
HDAC1 Q13547 14/20 0.73
HDAC7 Q8WUI4 14/20 0.73
HDAC2 Q92769 14/20 0.73
HDAC10 Q969S8 14/20 0.73
HDAC11 Q96DB2 14/20 0.73
HDAC8 Q9BY41 14/20 0.73
HDAC6 Q9UBN7 14/20 0.73
HDAC9 Q9UKV0 14/20 0.73
HDAC5 Q9UQL6 14/20 0.73
SLC2A1 P11166 3/20 0.43
BCHE P06276 1/20 0.40
CHRM3 P20309 1/20 0.40
PTPN2 P17706 1/20 0.39

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
SCHEMBL1482164 0.95 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1482168 0.95 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1481882 0.86 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1481574 0.85 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1481577 0.85 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2329996 0.83 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2330003 0.83 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1483788 0.82 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1481322 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1484015 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 US disclosed
EP-2049508-B1 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC SRL (IT) 2010-06-09 EP disclosed
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-05-06 US disclosed
EP-2049508-A2 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.r.l. (IT) 2009-04-22 EP disclosed
WO-2007113249-A2 N-HYDROXY-3-(4-{3-PHENYL-S-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.R.L. (IT) 2007-10-11 WO 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-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC4 5/4885HDAC1 2/4885
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC4 5/4885HDAC1 2/4885

“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.