Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2826431

O=C(O)C(F)(F)F.O=C(O)CCc1ccc(OCc2ccc(CN3CCCC3Cc3ccccc3)cc2)cc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.55
SPHK1 Q9NYA1 7/20 0.55
SPHK2 Q9NRA0 4/20 0.55
FFAR4 Q5NUL3 3/20 0.55
HRH3 Q9Y5N1 4/20 0.51

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
SCHEMBL13887161 0.95 FFAR1 (0.60) FFAR1SPHK1SPHK2FFAR4HRH3
Trifluoroacetic Acid SCHEMBL2824089 0.93 FFAR1 (0.55) FFAR1SPHK1SPHK2FFAR4HRH3
SCHEMBL2826434 0.89 SPHK1 (0.52) SPHK1SPHK2HRH3
SCHEMBL13064942 0.87 FFAR1 (0.60) FFAR1SPHK1SPHK2FFAR4HRH3
Trifluoroacetic Acid SCHEMBL2822642 0.86 FFAR1 (0.53) FFAR1SPHK1SPHK2FFAR4HRH3
Trifluoroacetic Acid SCHEMBL2827470 0.83 HRH3 (0.48) FFAR1FFAR4HRH3
Trifluoroacetic Acid SCHEMBL2824716 0.83 FFAR1 (0.49) FFAR1SPHK1FFAR4HRH3
Trifluoroacetic Acid SCHEMBL2827658 0.82 FFAR1 (0.48) FFAR1FFAR4HRH3
SCHEMBL2824092 0.82 SPHK1 (0.52) SPHK1SPHK2HRH3
SCHEMBL13887158 0.80 FFAR1 (0.58) FFAR1SPHK1SPHK2FFAR4HRH3

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 FFAR1 2/4885SPHK1 839/4885SPHK2 1435/4885

“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.