Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL946936

CC(C)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 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
CD274 Q9NZQ7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 3/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPK1 P28482 1/20 0.42

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 SCHEMBL947972 0.90 KCNH2 (0.48) MEN1KMT2AKDM4EFOSJUN
Trifluoroacetic Acid SCHEMBL947869 0.88 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL947261 0.88 S1PR1 (0.50) KDM4EFOSJUNALDH1A1BCHE
Trifluoroacetic Acid SCHEMBL946846 0.87 CYSLTR2 (0.46) MEN1KMT2AKDM4ECD274ALDH1A1
Trifluoroacetic Acid SCHEMBL948036 0.86 KMT2A (0.47) MEN1KMT2AKDM4EFOSJUN
Trifluoroacetic Acid SCHEMBL946913 0.85 BCHE (0.61) CD274BCHEDRD2DRD4ADRA1D
SCHEMBL946937 0.85 KDM4E (0.42) MEN1KMT2AKDM4ECD274ALDH1A1
Trifluoroacetic Acid SCHEMBL947421 0.84 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1DRD2
Trifluoroacetic Acid SCHEMBL947152 0.84 LTA4H (0.56) MEN1KMT2AKDM4EALDH1A1BCHE
Trifluoroacetic Acid SCHEMBL948327 0.83 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1MAPK1

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 MEN1 458/4885KMT2A 2683/4885KDM4E 2041/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 MEN1 435/4885KMT2A 2637/4885KDM4E 1286/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 MEN1 435/4885KMT2A 2637/4885KDM4E 1286/4885

“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.