Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3535888

CCCCCCCCCOc1cccc(CCCNCCC(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.58
S1PR3 Q99500 2/20 0.58
S1PR5 Q9H228 1/20 0.58
PPARA Q07869 3/20 0.56
PPARG P37231 2/20 0.56
CYP2D6 P10635 5/20 0.55
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KCNH2 Q12809 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.51
LTA4H P09960 2/20 0.50
PLA2G4B P0C869 1/20 0.50

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 SCHEMBL947363 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL947310 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL946995 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL946855 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL949642 0.99 S1PR1 (0.57) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL947998 0.96 S1PR1 (0.60) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL948823 0.95 CYP2D6 (0.61) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL946343 0.95 CYP2D6 (0.61) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL947011 0.95 CYP2D6 (0.61) S1PR1S1PR3S1PR5PPARAPPARG
Trifluoroacetic Acid SCHEMBL949915 0.95 CYP2D6 (0.61) S1PR1S1PR3S1PR5PPARAPPARG

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 5 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-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 (2 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 S1PR1 1/4885S1PR3 3/4885S1PR5 4/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885

“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.