Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL949479

O=C(O)C(F)(F)F.O=C(O)CCNCc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.58
BCHE P06276 3/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
S1PR1 P21453 6/20 0.51
S1PR3 Q99500 3/20 0.51
S1PR5 Q9H228 1/20 0.49
LTA4H P09960 1/20 0.49
GNA15 P30679 1/20 0.48
PTGER3 P43115 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47

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 SCHEMBL950824 0.94 S1PR1 (0.59) FFAR1BCHEDRD2DRD4ADRA1D
Trifluoroacetic Acid SCHEMBL949967 0.93 S1PR1 (0.60) FFAR1BCHES1PR1S1PR3S1PR5
SCHEMBL15890875 0.93 FFAR1 (0.62) FFAR1BCHEDRD2DRD4ADRA1D
Trifluoroacetic Acid SCHEMBL946987 0.93 FFAR1 (0.68) FFAR1BCHES1PR1S1PR3LTA4H
Trifluoroacetic Acid SCHEMBL946581 0.93 FFAR1 (0.53) FFAR1BCHES1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL951057 0.92 S1PR1 (0.60) FFAR1BCHES1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL949598 0.92 S1PR1 (0.60) FFAR1BCHES1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL948803 0.92 S1PR1 (0.60) FFAR1BCHES1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL948419 0.92 S1PR1 (0.60) FFAR1BCHES1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL947381 0.92 S1PR1 (0.60) FFAR1BCHES1PR1S1PR3S1PR5

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 28/4885BCHE 2952/4885DRD2 1052/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885BCHE 3117/4885DRD2 1096/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885BCHE 3117/4885DRD2 1096/4885

“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.