Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948619

Cc1cccc(CCOc2cccc(CNCCC(=O)O)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR1 O14842 2/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 4/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
S1PR1 P21453 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
BCHE P06276 1/20 0.43
PPARD Q03181 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
SCHEMBL15890820 0.94 KDM4E (0.60) KDM4EMAPK1MEN1KMT2AFFAR1
Trifluoroacetic Acid SCHEMBL948000 0.93 KCNH2 (0.52) KDM4EMAPK1FFAR1HPGDKCNH2
Trifluoroacetic Acid SCHEMBL946581 0.92 FFAR1 (0.53) KDM4EMAPK1MEN1KMT2AFFAR1
Trifluoroacetic Acid SCHEMBL947947 0.91 S1PR1 (0.54) KDM4EMAPK1FFAR1HPGDKCNH2
Trifluoroacetic Acid SCHEMBL949479 0.91 FFAR1 (0.58) KDM4EMAPK1FFAR1FFAR4DRD2
Trifluoroacetic Acid SCHEMBL946086 0.87 FFAR1 (0.52) KDM4EMEN1KMT2AFFAR1DRD2
SCHEMBL948620 0.86 KDM4E (0.49) KDM4EMAPK1MEN1KMT2AHPGD
Trifluoroacetic Acid SCHEMBL948855 0.86 KMT2A (0.53) KDM4EMEN1KMT2AFFAR1DRD2
Trifluoroacetic Acid SCHEMBL948649 0.86 CD274 (0.48) KDM4EMAPK1MEN1KMT2AFFAR1
SCHEMBL15890906 0.86 HPGD (0.57) KDM4EMAPK1FFAR1HPGDKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2041/4885MAPK1 1512/4885MEN1 458/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885MEN1 435/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885MEN1 435/4885

“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.