Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL946913

O=C(O)C(F)(F)F.O=C(O)CCNCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.61
FFAR1 O14842 3/20 0.57
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
CD274 Q9NZQ7 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50

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 SCHEMBL947794 0.93 FFAR1 (0.60) BCHEFFAR1CD274
SCHEMBL15891066 0.93 BCHE (0.70) BCHEFFAR1SPHK2SPHK1CD274
Trifluoroacetic Acid SCHEMBL949821 0.92 SMN1; SMN2 (0.54) BCHEFFAR1SPHK2SPHK1
Trifluoroacetic Acid SCHEMBL946987 0.91 FFAR1 (0.68) BCHEFFAR1
Trifluoroacetic Acid SCHEMBL947152 0.89 LTA4H (0.56) BCHEFFAR1DRD2DRD4ADRA1D
Trifluoroacetic Acid SCHEMBL949972 0.89 FFAR1 (0.59) BCHEFFAR1
Trifluoroacetic Acid SCHEMBL948248 0.89 DRD2 (0.50) BCHEFFAR1DRD2DRD4ADRA1D
Trifluoroacetic Acid SCHEMBL947858 0.89 DRD2 (0.50) BCHEHDAC1HDAC2DRD2DRD4
Trifluoroacetic Acid SCHEMBL949479 0.88 FFAR1 (0.58) BCHEFFAR1DRD2DRD4ADRA1D
Trifluoroacetic Acid SCHEMBL951044 0.88 DRD2 (0.49) BCHEHDAC1HDAC2DRD2DRD4

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 BCHE 2952/4885FFAR1 28/4885SPHK2 13/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 BCHE 3117/4885FFAR1 37/4885SPHK2 21/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 BCHE 3117/4885FFAR1 37/4885SPHK2 21/4885

“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.