Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948036

CC(C)COc1ccc(CNCCC(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
LTA4H P09960 2/20 0.46
HTR2A P28223 1/20 0.44
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
ACACB O00763 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
S1PR1 P21453 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 SCHEMBL948320 0.89 ACACB (0.51) KMT2AMEN1LTA4HFOSJUN
Trifluoroacetic Acid SCHEMBL948232 0.87 LTA4H (0.52) KMT2ALTA4HKDM4EMITFGAA
Trifluoroacetic Acid SCHEMBL951204 0.87 S1PR1 (0.60) LTA4HFOSJUNACACBS1PR1
Trifluoroacetic Acid SCHEMBL951118 0.86 LTA4H (0.43) KMT2ALTA4HS1PR1
Trifluoroacetic Acid SCHEMBL946936 0.86 MEN1 (0.46) KMT2AMEN1FOSJUNKDM4E
Trifluoroacetic Acid SCHEMBL948584 0.84 LTA4H (0.56) KMT2ALTA4HKDM4EMITFGAA
SCHEMBL948038 0.83 KMT2A (0.43) KMT2AMEN1MAPTALOX12LTA4H
Trifluoroacetic Acid SCHEMBL950311 0.82 LTA4H (0.61) KMT2ALTA4HKDM4EMITFGAA
Trifluoroacetic Acid SCHEMBL948191 0.82 S1PR1 (0.56) KMT2ALTA4HKDM4EMITFGAA
Trifluoroacetic Acid SCHEMBL948873 0.82 LTA4H (0.51) KMT2ALTA4HKDM4EMITFGAA

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 8 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
CN-1874991-A Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof ONO PHARMACEUTICAL CO (JP) 2006-12-06 CN 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 2683/4885MEN1 458/4885MAPT 4760/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KMT2A 2637/4885MEN1 435/4885MAPT 4603/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KMT2A 2637/4885MEN1 435/4885MAPT 4603/4885

“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.