Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL949972

O=C(O)C(F)(F)F.O=C(O)CCNCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.59
CYP2D6 P10635 1/20 0.58
BCHE P06276 5/20 0.56
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
FFAR4 Q5NUL3 4/20 0.51
KCNH2 Q12809 1/20 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 SCHEMBL946822 0.93 FFAR1 (0.61) FFAR1CYP2D6BCHEFFAR4
Trifluoroacetic Acid SCHEMBL950036 0.93 BCHE (0.58) FFAR1CYP2D6BCHECYP4F2CYP4A11
SCHEMBL15890882 0.93 CYP2D6 (0.66) FFAR1CYP2D6BCHECYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL946934 0.92 FFAR1 (0.54) FFAR1CYP2D6BCHEFFAR4
Trifluoroacetic Acid SCHEMBL947832 0.92 FFAR1 (0.68) FFAR1CYP2D6BCHEFFAR4
Trifluoroacetic Acid SCHEMBL947188 0.91 LTA4H (0.56) FFAR1CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL949796 0.90 FFAR1 (0.58) FFAR1CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL946913 0.89 BCHE (0.61) FFAR1BCHE
Trifluoroacetic Acid SCHEMBL946375 0.89 S1PR1 (0.51) FFAR1CYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL949643 0.89 KCNH2 (0.51) FFAR1CYP2D6KCNH2

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 FFAR1 28/4885CYP2D6 1819/4885BCHE 2952/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885CYP2D6 594/4885BCHE 3117/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885CYP2D6 594/4885BCHE 3117/4885

“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.