Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL947907

O=C(O)C(F)(F)F.O=C(O)CCNCCCc1cccc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.52
S1PR1 P21453 4/20 0.51
S1PR3 Q99500 2/20 0.51
BCHE P06276 1/20 0.50
S1PR5 Q9H228 1/20 0.49
NR4A2 P43354 1/20 0.48
LTA4H P09960 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP2D6 P10635 1/20 0.44

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 SCHEMBL946934 0.94 FFAR1 (0.54) FFAR1BCHENR4A2FFAR4MAOA
SCHEMBL15890894 0.94 S1PR1 (0.57) FFAR1S1PR1S1PR3BCHES1PR5
Trifluoroacetic Acid SCHEMBL950036 0.93 BCHE (0.58) FFAR1S1PR1S1PR3BCHES1PR5
Trifluoroacetic Acid SCHEMBL949821 0.89 SMN1; SMN2 (0.54) FFAR1BCHENR4A2MAOAMAOB
Trifluoroacetic Acid SCHEMBL947962 0.89 S1PR1 (0.59) FFAR1S1PR1S1PR3BCHES1PR5
Trifluoroacetic Acid SCHEMBL947888 0.87 FFAR1 (0.66) FFAR1S1PR1S1PR3BCHES1PR5
SCHEMBL15890813 0.87 FFAR1 (0.57) FFAR1BCHENR4A2MAOAMAOB
Trifluoroacetic Acid SCHEMBL951223 0.87 FFAR1 (0.59) FFAR1S1PR1S1PR3BCHES1PR5
SCHEMBL947908 0.86 BCHE (0.46) FFAR1S1PR1S1PR3BCHENR4A2
Trifluoroacetic Acid SCHEMBL949972 0.86 FFAR1 (0.59) FFAR1BCHEFFAR4CYP2D6

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 7 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
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 28/4885S1PR1 1/4885S1PR3 3/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 1/4885S1PR3 2/4885

“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.