Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589966

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
EPHX1 P07099 6/20 0.41
HDAC6 Q9UBN7 1/20 0.40
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
PAOX Q6QHF9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR2 O95136 3/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 2/20 0.37

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
Trifluoroacetic Acid SCHEMBL2887272 0.89 EPHX2 (0.38) EPHX2EPHX1HDAC6HRH4HRH3
SCHEMBL15685088 0.87 EPHX1 (0.52) EPHX2EPHX1PAOX
SCHEMBL1014742 0.81 PAOX (0.57) EPHX2EPHX1PAOX
Trifluoroacetic Acid SCHEMBL30564349 0.81 MEN1 (0.55) EPHX1HDAC6HRH4HRH3PAOX
Trifluoroacetic Acid SCHEMBL27898251 0.80 PAOX (0.62) EPHX1HDAC6HRH4HRH3HRH2
SCHEMBL28419176 0.80 PAOX (0.61) EPHX2EPHX1PAOX
Trifluoroacetic Acid SCHEMBL589964 0.79 EPHX2 (0.40) EPHX2EPHX1HRH4HRH3HRH2
Trifluoroacetic Acid SCHEMBL594282 0.77 ACHE (0.43) EPHX1HDAC6S1PR2S1PR1S1PR3
SCHEMBL17373907 0.77 PAOX (0.52) EPHX1PAOX
SCHEMBL589965 0.77 ALDH1A1 (0.63) EPHX2EPHX1ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-2012759-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 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 (2 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX2 1266/4885EPHX1 1339/4885HDAC6 2290/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX2 1216/4885EPHX1 1066/4885HDAC6 2989/4885

“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.