Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL951256

CCCCCCOc1cccc(CNCCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
PLA2G4B P0C869 1/20 0.52
KDM4E B2RXH2 3/20 0.50
S1PR5 Q9H228 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
CACNA1B Q00975 1/20 0.49
KCNH2 Q12809 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GGPS1 O95749 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CYSLTR2 Q9NS75 3/20 0.48
CYSLTR1 Q9Y271 3/20 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
Trifluoroacetic Acid SCHEMBL947428 1.00 CYP2D6 (0.52) CYP2D6PLA2G4BKDM4ES1PR5MAPK1
Trifluoroacetic Acid SCHEMBL947515 1.00 CYP2D6 (0.52) CYP2D6PLA2G4BKDM4ES1PR5MAPK1
Trifluoroacetic Acid SCHEMBL949073 1.00 CYP2D6 (0.52) CYP2D6PLA2G4BKDM4ES1PR5MAPK1
Trifluoroacetic Acid SCHEMBL948049 1.00 CYP2D6 (0.52) CYP2D6PLA2G4BKDM4ES1PR5MAPK1
Trifluoroacetic Acid SCHEMBL948327 0.99 KDM4E (0.51) CYP2D6PLA2G4BKDM4ES1PR5MAPK1
Trifluoroacetic Acid SCHEMBL947421 0.96 KDM4E (0.51) CYP2D6PLA2G4BKDM4EMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL947011 0.91 CYP2D6 (0.61) CYP2D6PLA2G4BKDM4ES1PR5ALDH1A1
Trifluoroacetic Acid SCHEMBL948823 0.91 CYP2D6 (0.61) CYP2D6PLA2G4BKDM4ES1PR5ALDH1A1
Trifluoroacetic Acid SCHEMBL949915 0.91 CYP2D6 (0.61) CYP2D6PLA2G4BKDM4ES1PR5ALDH1A1
Trifluoroacetic Acid SCHEMBL947789 0.91 CYP2D6 (0.61) CYP2D6PLA2G4BKDM4ES1PR5ALDH1A1

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 CYP2D6 1819/4885PLA2G4B 281/4885KDM4E 2041/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885PLA2G4B 218/4885KDM4E 1286/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885PLA2G4B 218/4885KDM4E 1286/4885

“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.