Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948248

O=C(O)C(F)(F)F.O=C(O)CCNCc1cccc(OCCCOCc2ccccc2)c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 4/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 2/20 0.48
MAPK1 P28482 1/20 0.47
FFAR1 O14842 2/20 0.46
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45

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 SCHEMBL947858 0.98 DRD2 (0.50) DRD2DRD4ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL951044 0.97 DRD2 (0.49) DRD2DRD4ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL947152 0.92 LTA4H (0.56) DRD2DRD4ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL949643 0.91 KCNH2 (0.51) LTA4HFFAR1S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL947250 0.90 S1PR1 (0.56) DRD2DRD4DRD3KDM4EBCHE
Trifluoroacetic Acid SCHEMBL947959 0.89 LTA4H (0.59) DRD4KDM4EBCHEKMT2ALTA4H
Trifluoroacetic Acid SCHEMBL946913 0.89 BCHE (0.61) DRD2DRD4ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL946375 0.89 S1PR1 (0.51) LTA4HFFAR1S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL950824 0.88 S1PR1 (0.59) DRD2DRD4ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL947336 0.88 S1PR1 (0.58) DRD2DRD4DRD3KDM4EBCHE

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 DRD2 1052/4885DRD4 1888/4885ADRA1D 93/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 DRD2 1096/4885DRD4 1566/4885ADRA1D 202/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 DRD2 1096/4885DRD4 1566/4885ADRA1D 202/4885

“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.