Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL948191

CCCCCOc1ccc(CNCCC(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.56
S1PR3 Q99500 8/20 0.56
S1PR2 O95136 4/20 0.56
LPAR2 Q9HBW0 2/20 0.56
LTA4H P09960 2/20 0.54
PLA2G4B P0C869 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
S1PR4 O95977 2/20 0.51
S1PR5 Q9H228 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
KMT2A Q03164 1/20 0.48

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 SCHEMBL948072 0.99 S1PR1 (0.58) S1PR1S1PR3S1PR2LPAR2LTA4H
Trifluoroacetic Acid SCHEMBL946574 0.99 S1PR1 (0.58) S1PR1S1PR3S1PR2LPAR2LTA4H
Trifluoroacetic Acid SCHEMBL947984 0.99 S1PR1 (0.58) S1PR1S1PR3S1PR2LPAR2LTA4H
Trifluoroacetic Acid SCHEMBL948584 0.98 LTA4H (0.56) S1PR1S1PR3S1PR2LPAR2LTA4H
SCHEMBL3205711 0.90 LTA4H (0.60) S1PR1S1PR3S1PR2LPAR2LTA4H
Trifluoroacetic Acid SCHEMBL946369 0.89 S1PR1 (0.60) S1PR1S1PR3LTA4HPLA2G4BL3MBTL1
Trifluoroacetic Acid SCHEMBL947488 0.88 S1PR1 (0.61) S1PR1S1PR3LTA4HPLA2G4BL3MBTL1
Trifluoroacetic Acid SCHEMBL948671 0.88 S1PR1 (0.61) S1PR1S1PR3LTA4HPLA2G4BL3MBTL1
Trifluoroacetic Acid SCHEMBL947372 0.88 S1PR1 (0.61) S1PR1S1PR3LTA4HPLA2G4BL3MBTL1
Trifluoroacetic Acid SCHEMBL949400 0.88 S1PR1 (0.61) S1PR1S1PR3LTA4HPLA2G4BL3MBTL1

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
CN-101407471-A Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2009-04-15 CN 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 3/4885S1PR2 2/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR2 3/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR2 3/4885

“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.