Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL594282

CCOC(=O)NCCCN.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CYP1A2 P05177 1/20 0.41
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 4/20 0.39
S1PR2 O95136 3/20 0.39
S1PR5 Q9H228 3/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL4030364 0.88 ACHE (0.53) ACHEHDAC6HDAC3HDAC4HDAC1
SCHEMBL8971460 0.83 PAOX (0.53) ACHEHDAC6HDAC3HDAC4HDAC1
SCHEMBL180477 0.81 PAOX (0.57) ACHECYP1A2EPHX1
SCHEMBL11572316 0.81 PAOX (0.57) ACHECYP1A2EPHX1
Trifluoroacetic Acid SCHEMBL1276786 0.80 HDAC6 (0.36) ACHEHDAC6
SCHEMBL21106400 0.80 ACHE (0.50) ACHECYP1A2
Trifluoroacetic Acid SCHEMBL23796903 0.79 HRH2 (0.39) HDAC6CYP1A2S1PR1S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL23796906 0.79 HRH2 (0.39) HDAC6CYP1A2S1PR1S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL30564349 0.78 MEN1 (0.55) HDAC6S1PR1S1PR3S1PR2S1PR5
Trifluoroacetic Acid SCHEMBL27898251 0.78 PAOX (0.62) HDAC6S1PR1S1PR3S1PR2S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACHE 2179/4885HDAC6 602/4885HDAC3 700/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACHE 2179/4885HDAC6 602/4885HDAC3 700/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACHE 2179/4885HDAC6 602/4885HDAC3 700/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACHE 2179/4885HDAC6 602/4885HDAC3 700/4885

“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.