SCHEMBL14263166

SCHEMBL14263166

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.56
S1PR3 Q99500 10/20 0.56
SIRT2 Q8IXJ6 1/20 0.50
S1PR4 O95977 4/20 0.49
S1PR5 Q9H228 4/20 0.49
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
PPARA Q07869 1/20 0.46
MAOB P27338 2/20 0.46
CNR1 P21554 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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 SCHEMBL4983889 0.96 S1PR1 (0.55) S1PR1S1PR3SIRT2S1PR4S1PR5
SCHEMBL5182451 0.90 S1PR1 (0.53) S1PR1S1PR3SIRT2S1PR4S1PR5
SCHEMBL14263198 0.89 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4979757 0.87 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4979779 0.87 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4980213 0.85 S1PR1 (0.49) S1PR1S1PR3SIRT2S1PR4S1PR5
SCHEMBL14263192 0.84 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4981477 0.84 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4981484 0.84 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4986318 0.82 TLR8 (0.53) S1PR1S1PR3S1PR4S1PR5

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 4 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-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
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US 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 (1 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 3/4885SIRT2 1460/4885

“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.