Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948041

CC(C)(C)CCOc1cccc(CNCCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
FFAR1 O14842 2/20 0.49
KCNH2 Q12809 4/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LTA4H P09960 1/20 0.45
ENPP2 Q13822 1/20 0.44
GAA P10253 2/20 0.44
MITF O75030 1/20 0.44
CD274 Q9NZQ7 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
Trifluoroacetic Acid SCHEMBL948575 0.90 KCNH2 (0.56) FFAR1KCNH2LTA4H
Trifluoroacetic Acid SCHEMBL948820 0.89 S1PR1 (0.55) DRD2DRD4DRD3FFAR1KCNH2
Trifluoroacetic Acid SCHEMBL947421 0.88 KDM4E (0.51) DRD2DRD4DRD3ADRA1DADRA1A
Trifluoroacetic Acid SCHEMBL947152 0.88 LTA4H (0.56) DRD2DRD4DRD3ADRA1DADRA1A
Trifluoroacetic Acid SCHEMBL948327 0.87 KDM4E (0.51) KCNH2KDM4EMAPK1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL949479 0.87 FFAR1 (0.58) DRD2DRD4DRD3ADRA1DADRA1A
Trifluoroacetic Acid SCHEMBL948873 0.86 LTA4H (0.51) DRD4KDM4EKMT2ALTA4HGAA
Trifluoroacetic Acid SCHEMBL947428 0.86 CYP2D6 (0.52) KCNH2KDM4EMAPK1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL948049 0.86 CYP2D6 (0.52) KCNH2KDM4EMAPK1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL949073 0.86 CYP2D6 (0.52) KCNH2KDM4EMAPK1KMT2AMEN1

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 6 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-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 (2 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-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 DRD2 1096/4885DRD4 1566/4885DRD3 685/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 DRD2 1096/4885DRD4 1566/4885DRD3 685/4885

“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.