Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948327

CCCCCOc1cccc(CNCCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
CYP2D6 P10635 4/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
KCNH2 Q12809 1/20 0.50
PLA2G4B P0C869 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
S1PR5 Q9H228 2/20 0.48
POLB P06746 1/20 0.48
CACNA1B Q00975 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GGPS1 O95749 1/20 0.47
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47

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 SCHEMBL947515 0.99 CYP2D6 (0.52) KDM4EMAPK1CYP2D6ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL947428 0.99 CYP2D6 (0.52) KDM4EMAPK1CYP2D6ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL951256 0.99 CYP2D6 (0.52) KDM4EMAPK1CYP2D6ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL948049 0.99 CYP2D6 (0.52) KDM4EMAPK1CYP2D6ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL949073 0.99 CYP2D6 (0.52) KDM4EMAPK1CYP2D6ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL947421 0.97 KDM4E (0.51) KDM4EMAPK1CYP2D6ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL948321 0.90 CYP2D6 (0.61) KDM4ECYP2D6ALDH1A1GAAKCNH2
Trifluoroacetic Acid SCHEMBL947152 0.90 LTA4H (0.56) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL3195449 0.90 CYP2D6 (0.56) KDM4EMAPK1CYP2D6ALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL949915 0.89 CYP2D6 (0.61) KDM4ECYP2D6ALDH1A1GAAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
CN-101407471-A Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2009-04-15 CN disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 KDM4E 2041/4885MAPK1 1512/4885CYP2D6 1819/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885CYP2D6 594/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885CYP2D6 594/4885

“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.