Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL949915

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.61
KCNH2 Q12809 7/20 0.59
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PLA2G4B P0C869 1/20 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
Trifluoroacetic Acid SCHEMBL948823 1.00 CYP2D6 (0.61) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL947789 1.00 CYP2D6 (0.61) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL946343 1.00 CYP2D6 (0.61) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL947011 1.00 CYP2D6 (0.61) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL948321 0.99 CYP2D6 (0.61) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL947966 0.96 CYP2D6 (0.60) CYP2D6KCNH2S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL947310 0.95 S1PR1 (0.58) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL3535888 0.95 S1PR1 (0.58) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL946855 0.95 S1PR1 (0.58) CYP2D6KCNH2PPARGPPARACNR1
Trifluoroacetic Acid SCHEMBL947363 0.95 S1PR1 (0.58) CYP2D6KCNH2PPARGPPARACNR1

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 1819/4885KCNH2 1238/4885PPARG 2805/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885KCNH2 1903/4885PPARG 3532/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885KCNH2 1903/4885PPARG 3532/4885

“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.