Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL949796

O=C(O)C(F)(F)F.O=C(O)CCNCCc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
S1PR1 P21453 4/20 0.54
S1PR3 Q99500 2/20 0.54
KCNH2 Q12809 5/20 0.53
GAA P10253 1/20 0.52
LTA4H P09960 2/20 0.52
S1PR5 Q9H228 1/20 0.52
CYP2D6 P10635 2/20 0.50
TAAR1 Q96RJ0 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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 SCHEMBL946475 0.94 S1PR1 (0.62) FFAR1S1PR1S1PR3KCNH2GAA
Trifluoroacetic Acid SCHEMBL947188 0.94 LTA4H (0.56) FFAR1S1PR1S1PR3KCNH2GAA
Trifluoroacetic Acid SCHEMBL947961 0.93 S1PR1 (0.64) FFAR1S1PR1S1PR3KCNH2GAA
Trifluoroacetic Acid SCHEMBL950933 0.93 S1PR1 (0.63) FFAR1S1PR1S1PR3KCNH2LTA4H
SCHEMBL15890759 0.93 FFAR1 (0.62) FFAR1S1PR1S1PR3GAALTA4H
Trifluoroacetic Acid SCHEMBL947832 0.93 FFAR1 (0.68) FFAR1S1PR1S1PR3LTA4HS1PR5
Trifluoroacetic Acid SCHEMBL947387 0.93 FFAR1 (0.53) FFAR1S1PR1S1PR3KCNH2LTA4H
Trifluoroacetic Acid SCHEMBL950232 0.93 FFAR1 (0.53) FFAR1S1PR1S1PR3KCNH2GAA
Trifluoroacetic Acid SCHEMBL949055 0.92 S1PR1 (0.64) FFAR1S1PR1S1PR3KCNH2LTA4H
Trifluoroacetic Acid SCHEMBL950418 0.92 S1PR1 (0.64) FFAR1S1PR1S1PR3KCNH2LTA4H

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-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
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 FFAR1 28/4885S1PR1 1/4885S1PR3 3/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 1/4885S1PR3 2/4885

“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.