Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL950080

O=C(O)C(F)(F)F.O=C(O)CCN1CC=C(c2ccc(OCCCc3ccccc3)cc2)CC1

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.89
S1PR3 Q99500 1/20 0.89
PPARG P37231 11/20 0.52
PPARA Q07869 11/20 0.52
FFAR1 O14842 2/20 0.52
SIGMAR1 Q99720 3/20 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
SCHEMBL947359 0.94 S1PR1 (1.00) S1PR1S1PR3PPARGPPARAFFAR1
Trifluoroacetic Acid SCHEMBL1869771 0.92 S1PR1 (0.74) S1PR1S1PR3PPARGPPARASIGMAR1
Trifluoroacetic Acid SCHEMBL1876790 0.91 S1PR1 (0.73) S1PR1S1PR3PPARGPPARAFFAR1
Trifluoroacetic Acid SCHEMBL1876069 0.88 S1PR1 (0.69) S1PR1S1PR3PPARGPPARASIGMAR1
SCHEMBL950082 0.88 S1PR1 (0.74) S1PR1S1PR3PPARGPPARASIGMAR1
Trifluoroacetic Acid SCHEMBL1873277 0.87 S1PR1 (0.67) S1PR1S1PR3PPARGPPARAFFAR1
SCHEMBL676680 0.80 S1PR1 (0.74) S1PR1S1PR3PPARGPPARAFFAR1
SCHEMBL14944081 0.80 S1PR1 (0.74) S1PR1S1PR3PPARGPPARAFFAR1
Trifluoroacetic Acid SCHEMBL1874106 0.80 S1PR1 (0.57) S1PR1S1PR3SIGMAR1
SCHEMBL1876791 0.79 S1PR1 (0.61) S1PR1S1PR3PPARGPPARASIGMAR1

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 S1PR1 1/4885S1PR3 3/4885PPARG 2805/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885PPARG 3532/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885PPARG 3532/4885

“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.