Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL946846

CCCC(CCC)COc1cccc(CNCCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BCHE P06276 4/20 0.42
THRB P10828 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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 SCHEMBL949446 0.91 KCNH2 (0.46) CYSLTR2CYSLTR1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL949767 0.89 S1PR1 (0.47) CYSLTR2CYSLTR1KDM4EALDH1A1BCHE
Trifluoroacetic Acid SCHEMBL951118 0.87 LTA4H (0.43) CYSLTR2CYSLTR1KMT2A
Trifluoroacetic Acid SCHEMBL946936 0.87 MEN1 (0.46) CD274KDM4EMEN1KMT2AALDH1A1
SCHEMBL946848 0.86 KDM4E (0.40) CYSLTR2CYSLTR1CD274KDM4EMEN1
Trifluoroacetic Acid SCHEMBL947421 0.85 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL948327 0.84 KDM4E (0.51) CYSLTR2CYSLTR1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL946913 0.84 BCHE (0.61) CD274BCHE
Trifluoroacetic Acid SCHEMBL949073 0.83 CYP2D6 (0.52) CYSLTR2CYSLTR1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL947515 0.83 CYP2D6 (0.52) CYSLTR2CYSLTR1KDM4EMEN1KMT2A

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 CYSLTR2 72/4885CYSLTR1 21/4885CD274 1256/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYSLTR2 227/4885CYSLTR1 55/4885CD274 1192/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYSLTR2 227/4885CYSLTR1 55/4885CD274 1192/4885

“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.