SCHEMBL9102986

SCHEMBL9102986

C/C(=N\OCC(Cc1ccc(C)c(C)c1)c1cccc(C)c1)c1ccc(CNCCCP(=O)(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.53
S1PR2 O95136 14/20 0.40
S1PR3 Q99500 14/20 0.40
LPAR2 Q9HBW0 14/20 0.40
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL9102997 1.00 S1PR1 (0.53) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL9104368 0.92 S1PR1 (0.64) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL9104350 0.92 S1PR1 (0.64) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL9909445 0.86 S1PR1 (0.57) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL16175787 0.86 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL9101623 0.86 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL9101630 0.86 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL9106702 0.82 PPARG (0.34) S1PR1
SCHEMBL9106704 0.82 PPARG (0.34) S1PR1
SCHEMBL16181711 0.81 S1PR1 (0.43) S1PR1S1PR2S1PR3LPAR2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-08-20 US claimed
US-20140057878-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US claimed
US-8609636-B2 Oxime derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-17 US claimed
EP-2646114-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
WO-2012074782-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
US-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-08-20 US disclosed
US-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-08-20 US disclosed
US-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-08-20 US disclosed
EP-2646114-B1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
US-20140057878-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-20140057878-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-20140057878-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-8609636-B2 Oxime derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-17 US disclosed
EP-2646114-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
WO-2012074782-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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 (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-20150231158-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR2 3/4885S1PR3 2/4885
US-20140057878-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR2 3/4885S1PR3 2/4885
US-20120142642-A1 NOVEL OXIME DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR2 3/4885S1PR3 2/4885

“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.