Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL950345

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

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
KCNH2 Q12809 5/20 0.50
S1PR1 P21453 4/20 0.47
S1PR3 Q99500 2/20 0.47
KMT2A Q03164 2/20 0.46
S1PR5 Q9H228 1/20 0.46
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 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
SCHEMBL15890950 0.95 FFAR1 (0.53) FFAR1KCNH2S1PR1S1PR3KMT2A
Trifluoroacetic Acid SCHEMBL950787 0.94 S1PR1 (0.56) FFAR1KCNH2S1PR1S1PR3KMT2A
Trifluoroacetic Acid SCHEMBL948855 0.92 KMT2A (0.53) FFAR1S1PR1S1PR3KMT2AS1PR5
Trifluoroacetic Acid SCHEMBL949796 0.91 FFAR1 (0.58) FFAR1KCNH2S1PR1S1PR3KMT2A
Trifluoroacetic Acid SCHEMBL947387 0.90 FFAR1 (0.53) FFAR1KCNH2S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL948722 0.90 S1PR1 (0.53) FFAR1S1PR1S1PR3KMT2AS1PR5
SCHEMBL15891107 0.89 S1PR1 (0.61) FFAR1KCNH2S1PR1S1PR3KMT2A
Trifluoroacetic Acid SCHEMBL948000 0.87 KCNH2 (0.52) FFAR1KCNH2S1PR1S1PR3LTA4H
SCHEMBL15890968 0.87 KMT2A (0.56) FFAR1S1PR1S1PR3KMT2AS1PR5
SCHEMBL950346 0.87 KCNH2 (0.46) KCNH2KMT2ALTA4HKDM4EMITF

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 FFAR1 28/4885KCNH2 1238/4885S1PR1 1/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885KCNH2 1903/4885S1PR1 1/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885KCNH2 1903/4885S1PR1 1/4885

“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.