Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL947481

Cc1ccc(CCOc2cccc(CCCNCCC(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.58
S1PR3 Q99500 2/20 0.58
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
S1PR5 Q9H228 1/20 0.56
LTA4H P09960 2/20 0.51
FFAR1 O14842 4/20 0.51
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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 SCHEMBL947387 0.94 FFAR1 (0.53) S1PR1S1PR3DRD2DRD4DRD3
SCHEMBL15890855 0.94 S1PR1 (0.65) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL947947 0.93 S1PR1 (0.54) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL947961 0.93 S1PR1 (0.64) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL950787 0.90 S1PR1 (0.56) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL949913 0.90 S1PR1 (0.64) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL946581 0.90 FFAR1 (0.53) S1PR1S1PR3S1PR5FFAR1KDM4E
Trifluoroacetic Acid SCHEMBL949625 0.90 S1PR1 (0.69) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL950264 0.90 S1PR1 (0.65) S1PR1S1PR3DRD2DRD4DRD3
Trifluoroacetic Acid SCHEMBL948009 0.89 S1PR1 (0.69) S1PR1S1PR3DRD2DRD4DRD3

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 S1PR1 1/4885S1PR3 3/4885DRD2 1052/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885DRD2 1096/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885DRD2 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.