Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948649

Cc1ccccc1CCOc1cccc(CNCCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
FFAR1 O14842 2/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
S1PR1 P21453 2/20 0.44
SCN8A Q9UQD0 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 2/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL15890972 0.94 CD274 (0.53) CD274KDM4EMAPK1FFAR1DRD2
Trifluoroacetic Acid SCHEMBL947519 0.92 KCNH2 (0.49) FFAR1SIRT2S1PR1LTA4HKCNH2
Trifluoroacetic Acid SCHEMBL946811 0.90 S1PR1 (0.53) KDM4EMAPK1FFAR1DRD2DRD4
Trifluoroacetic Acid SCHEMBL949479 0.89 FFAR1 (0.58) KDM4EMAPK1FFAR1DRD2DRD4
SCHEMBL948651 0.87 CD274 (0.45) CD274KDM4EMAPK1DRD2DRD4
Trifluoroacetic Acid SCHEMBL948619 0.86 KDM4E (0.53) CD274KDM4EMAPK1FFAR1PPARD
Trifluoroacetic Acid SCHEMBL946581 0.86 FFAR1 (0.53) KDM4EMAPK1FFAR1S1PR1MEN1
SCHEMBL15890814 0.86 S1PR1 (0.50) FFAR1SIRT2S1PR1LTA4HKCNH2
Trifluoroacetic Acid SCHEMBL950824 0.86 S1PR1 (0.59) KDM4EMAPK1FFAR1DRD2DRD4
Trifluoroacetic Acid SCHEMBL947152 0.85 LTA4H (0.56) KDM4EMAPK1FFAR1DRD2DRD4

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 CD274 1256/4885KDM4E 2041/4885MAPK1 1512/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CD274 1192/4885KDM4E 1286/4885MAPK1 1787/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CD274 1192/4885KDM4E 1286/4885MAPK1 1787/4885

“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.