Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL949967

O=C(O)C(F)(F)F.O=C(O)CCNCc1cccc(OCCCCc2ccccc2)c1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.60
S1PR3 Q99500 6/20 0.58
S1PR5 Q9H228 1/20 0.58
FFAR1 O14842 2/20 0.54
BCHE P06276 2/20 0.54
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
LTA4H P09960 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 SCHEMBL948419 0.99 S1PR1 (0.60) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL951057 0.99 S1PR1 (0.60) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL949598 0.99 S1PR1 (0.60) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL947381 0.99 S1PR1 (0.60) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL948803 0.99 S1PR1 (0.60) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL950824 0.97 S1PR1 (0.59) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL949479 0.93 FFAR1 (0.58) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL947152 0.92 LTA4H (0.56) S1PR1S1PR3S1PR5FFAR1BCHE
Trifluoroacetic Acid SCHEMBL948009 0.91 S1PR1 (0.69) S1PR1S1PR3S1PR5FFAR1KDM4E
Trifluoroacetic Acid SCHEMBL950933 0.91 S1PR1 (0.63) S1PR1S1PR3S1PR5FFAR1LTA4H

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 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
US-20110020324-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.