SCHEMBL1206743

SCHEMBL1206743

CCCCC(N)=O.CCCCCCCCCCCCCC=CC(O)C(N)COP(=O)(O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.86
S1PR4 O95977 2/20 0.86
S1PR3 Q99500 2/20 0.86
S1PR5 Q9H228 2/20 0.86
ALDH1A1 P00352 2/20 0.86
S1PR2 O95136 1/20 0.86
TSPO P30536 1/20 0.86
TMEM97 Q5BJF2 1/20 0.86
SIGMAR1 Q99720 1/20 0.86
PLA2G4A P47712 3/20 0.60
SGPL1 O95470 4/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LPAR1 Q92633 5/20 0.53
LPAR3 Q9UBY5 3/20 0.53
ENPP2 Q13822 2/20 0.53
LPAR4 Q99677 2/20 0.53
LPAR5 Q9H1C0 2/20 0.53
LPAR2 Q9HBW0 2/20 0.53
CES2 O00748 1/20 0.53

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
SCHEMBL12766764 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL3885 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL6055753 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8736952 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL3517452 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL2561998 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL17482409 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL22910837 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL20798182 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL29438139 0.93 S1PR1 (1.00) S1PR1S1PR4S1PR3S1PR5ALDH1A1

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
US-7888527-B2 Aryl amide sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-15 US disclosed
US-7888527-B2 Aryl amide sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-15 US disclosed
US-20090137531-A1 Aryl Amide Sphingosine 1- UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-05-28 US disclosed
EP-1827606-A2 ARYL AMIDE SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-09-05 EP disclosed
EP-1827606-A2 ARYL AMIDE SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-09-05 EP disclosed
WO-2006063033-A3 ARYL AMIDE SPHINGOSINE 1-PHOSPHATE ANALOGS UNIV VIRGINIA (US) 2006-11-09 WO disclosed
WO-2006063033-A2 ARYL AMIDE SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-06-15 WO disclosed
WO-2006063033-A2 ARYL AMIDE SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-06-15 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 (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-20090137531-A1 Aryl Amide Sphingosine 1- S1PR3, S1PR1, S1PR4 S1PR1 2/4885S1PR4 3/4885S1PR3 1/4885

“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.