Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4983889

C[C@](N)(CO)C(=O)Nc1ccc(OCCc2cccc(C(F)(F)F)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.55
S1PR3 Q99500 12/20 0.55
S1PR4 O95977 5/20 0.49
S1PR5 Q9H228 5/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PPARA Q07869 2/20 0.46
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
NR4A2 P43354 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL14263166 0.96 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5SIRT2
SCHEMBL5182451 0.86 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5SIRT2
SCHEMBL14263198 0.86 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4980213 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5SIRT2
SCHEMBL4979757 0.83 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4979779 0.83 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
Trifluoroacetic Acid SCHEMBL4983673 0.83 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL14263192 0.83 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5PPARA
Trifluoroacetic Acid SCHEMBL4613224 0.82 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL4981484 0.81 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5PPARA

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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
EP-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 US disclosed
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 WO 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885

“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.