Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2827609

O=C(O)C(F)(F)F.O=C(O)CCc1ccc(OCc2ccc(CN3CCC(c4ccccc4)C3)cc2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
EPHX2 P34913 1/20 0.56
FFAR1 O14842 9/20 0.54
FFAR4 Q5NUL3 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
S1PR1 P21453 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
S1PR5 Q9H228 2/20 0.50
SLC6A5 Q9Y345 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR3 Q99500 1/20 0.49

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
SCHEMBL13065796 0.95 LTA4H (0.61) LTA4HEPHX2FFAR1FFAR4NPC1
SCHEMBL2826986 0.90 HRH3 (0.61) LTA4HEPHX2FFAR1FFAR4NPC1
SCHEMBL2827613 0.89 LTA4H (0.53) LTA4HEPHX2NPC1RAB9AS1PR1
Trifluoroacetic Acid SCHEMBL2823887 0.87 LTA4H (0.69) LTA4HEPHX2FFAR1FFAR4NPC1
SCHEMBL21171912 0.85 LTA4H (0.57) LTA4HEPHX2FFAR1FFAR4NPC1
Trifluoroacetic Acid SCHEMBL2824006 0.84 LTA4H (0.52) LTA4HEPHX2FFAR1FFAR4NPC1
Trifluoroacetic Acid SCHEMBL2823915 0.83 FFAR1 (0.51) LTA4HEPHX2FFAR1FFAR4HRH3
Trifluoroacetic Acid SCHEMBL2827623 0.83 LTA4H (0.57) LTA4HEPHX2FFAR1FFAR4NPC1
Trifluoroacetic Acid SCHEMBL2822642 0.82 FFAR1 (0.53) FFAR1FFAR4HRH3
SCHEMBL2823963 0.81 CNR2 (0.63) LTA4HEPHX2FFAR1FFAR4HRH3

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-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 LTA4H 476/4885EPHX2 2261/4885FFAR1 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.