SCHEMBL9110235

SCHEMBL9110235

Cc1ccc(CC(c2cccc(Cl)c2)c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.54
S1PR5 Q9H228 12/20 0.54
S1PR4 O95977 9/20 0.54
S1PR3 Q99500 8/20 0.54
MAP4K4 O95819 1/20 0.48
MINK1 Q8N4C8 1/20 0.48

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
SCHEMBL9107811 0.91 S1PR1 (0.53) S1PR1S1PR5S1PR4S1PR3
SCHEMBL27942984 0.91 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL9110818 0.90 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL9104545 0.89 S1PR5 (0.53) S1PR1S1PR5S1PR4S1PR3
SCHEMBL9106954 0.88 S1PR1 (0.57) S1PR1S1PR5S1PR4S1PR3
SCHEMBL9105697 0.87 S1PR1 (0.55) S1PR1S1PR5S1PR4S1PR3
SCHEMBL9109266 0.87 S1PR1 (0.55) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL9108003 0.87 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL9103927 0.85 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3
SCHEMBL9108426 0.84 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646024-B1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP claimed
US-8729062-B2 Benzyl azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-05-20 US claimed
EP-2646024-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
WO-2012074722-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142664-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646024-B1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
EP-2646024-B1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
US-20140213573-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-07-31 US disclosed
US-20140213573-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-07-31 US disclosed
US-20140213573-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-07-31 US disclosed
US-8729062-B2 Benzyl azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-05-20 US disclosed
US-8729062-B2 Benzyl azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-05-20 US disclosed
US-20140128369-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-05-08 US disclosed
US-20140128369-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-05-08 US disclosed
EP-2646024-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
WO-2012074722-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
WO-2012074722-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142664-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142664-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142664-A1 NOVEL BENZYL AZETIDINE 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-20120142664-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885S1PR4 5/4885
US-20140213573-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885S1PR4 5/4885
US-20140128369-A1 NOVEL BENZYL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 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.