Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948855

CC(C)(C)c1ccc(CCOc2cccc(CNCCC(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.53
FFAR1 O14842 4/20 0.51
MEN1 O00255 1/20 0.46
S1PR1 P21453 6/20 0.45
S1PR3 Q99500 3/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
BCHE P06276 1/20 0.44
S1PR5 Q9H228 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
SCHEMBL15890968 0.95 KMT2A (0.56) KMT2AKDM4EMITFGAAFFAR1
Trifluoroacetic Acid SCHEMBL950345 0.92 FFAR1 (0.51) KMT2AKDM4EMITFGAAFFAR1
Trifluoroacetic Acid SCHEMBL949479 0.91 FFAR1 (0.58) KDM4EFFAR1S1PR1S1PR3DRD2
Trifluoroacetic Acid SCHEMBL950787 0.90 S1PR1 (0.56) KMT2AKDM4EMITFGAAFFAR1
Trifluoroacetic Acid SCHEMBL946581 0.90 FFAR1 (0.53) KMT2AKDM4EFFAR1MEN1S1PR1
SCHEMBL15890950 0.87 FFAR1 (0.53) KMT2AKDM4EMITFGAAFFAR1
SCHEMBL948856 0.87 KMT2A (0.49) KMT2AKDM4EMITFGAAFFAR1
Trifluoroacetic Acid SCHEMBL946987 0.86 FFAR1 (0.68) FFAR1S1PR1S1PR3BCHE
Trifluoroacetic Acid SCHEMBL948619 0.86 KDM4E (0.53) KMT2AKDM4EFFAR1MEN1S1PR1
Trifluoroacetic Acid SCHEMBL950824 0.86 S1PR1 (0.59) KDM4EFFAR1S1PR1S1PR3DRD2

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 KMT2A 2683/4885KDM4E 2041/4885MITF 3598/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KMT2A 2637/4885KDM4E 1286/4885MITF 3823/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KMT2A 2637/4885KDM4E 1286/4885MITF 3823/4885

“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.