Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1867447

C[C@H](COc1ccc(C2=CCN(CCC(=O)O)CC2)cc1)Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.59
PPARA Q07869 17/20 0.59
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
SIGMAR1 Q99720 2/20 0.48

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
SCHEMBL1867449 0.89 PPARG (0.54) PPARGPPARASIGMAR1
Trifluoroacetic Acid SCHEMBL1869771 0.85 S1PR1 (0.74) PPARGPPARAS1PR1S1PR3SIGMAR1
Trifluoroacetic Acid SCHEMBL950080 0.77 S1PR1 (0.89) PPARGPPARAS1PR1S1PR3SIGMAR1
SCHEMBL1869773 0.73 S1PR1 (0.61) PPARGPPARAS1PR1S1PR3SIGMAR1
SCHEMBL18644964 0.73 PPARG (1.00) PPARGPPARA
SCHEMBL9531074 0.70 SIGMAR1 (0.74) PPARGPPARASIGMAR1
SCHEMBL947359 0.70 S1PR1 (1.00) PPARGPPARAS1PR1S1PR3SIGMAR1
Trifluoroacetic Acid SCHEMBL1876790 0.68 S1PR1 (0.73) PPARGPPARAS1PR1S1PR3SIGMAR1
Trifluoroacetic Acid SCHEMBL1876069 0.68 S1PR1 (0.69) PPARGPPARAS1PR1S1PR3SIGMAR1
SCHEMBL18937658 0.68 SIGMAR1 (0.60) S1PR1S1PR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP claimed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP claimed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 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 (3 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 PPARG 1967/4885PPARA 1476/4885S1PR1 3/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 PPARG 1967/4885PPARA 1476/4885S1PR1 3/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 PPARG 1967/4885PPARA 1476/4885S1PR1 3/4885

“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.