Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2074056

N[C@@H](CCCCCC(=O)O)c1ncc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.60
S1PR1 P21453 3/20 0.49
S1PR4 O95977 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR5 Q9H228 2/20 0.49
NLN Q9BYT8 2/20 0.49
HDAC3 O15379 6/20 0.49
HDAC6 Q9UBN7 5/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 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
SCHEMBL15513441 0.94 HDAC1 (0.66) HDAC1NLNHDAC3HDAC6HDAC2
Trifluoroacetic Acid SCHEMBL2073929 0.93 HDAC1 (0.55) HDAC1S1PR1S1PR4S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL2071700 0.89 S1PR1 (0.55) HDAC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL2073238 0.87 HDAC1 (0.57) HDAC1NLNHDAC3HDAC6HDAC2
SCHEMBL15512850 0.85 HDAC1 (0.61) HDAC1NLNHDAC3HDAC6HDAC2
Trifluoroacetic Acid SCHEMBL16927774 0.84 HDAC3 (0.49) HDAC1HDAC3HDAC6HDAC2HDAC10
Trifluoroacetic Acid SCHEMBL2074779 0.84 HDAC1 (0.44) HDAC1S1PR1S1PR4S1PR5HDAC3
SCHEMBL2073582 0.83 HDAC1 (0.65) HDAC1NLNHDAC3HDAC6HDAC2
SCHEMBL2073281 0.83 HDAC1 (0.68) HDAC1NLNHDAC3HDAC6HDAC2
Trifluoroacetic Acid SCHEMBL2073100 0.82 HDAC1 (0.90) HDAC1HDAC3HDAC6HDAC2HDAC4

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-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
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
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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 (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 HDAC1 1/4885S1PR1 3711/4885S1PR4 4165/4885

“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.