SCHEMBL9108003

SCHEMBL9108003

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.50
S1PR4 O95977 8/20 0.50
S1PR5 Q9H228 8/20 0.50
S1PR3 Q99500 6/20 0.49
MAP4K4 O95819 1/20 0.46
MINK1 Q8N4C8 1/20 0.46

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
SCHEMBL16341589 0.91 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL27938162 0.91 S1PR1 (0.51) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL16341310 0.87 S1PR1 (0.48) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL9110235 0.87 S1PR1 (0.54) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL9109266 0.85 S1PR1 (0.55) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL9105674 0.82 S1PR1 (0.48) S1PR1S1PR4S1PR5S1PR3
SCHEMBL16161674 0.81 TP53 (0.48) S1PR1S1PR4S1PR5S1PR3
SCHEMBL27942984 0.81 S1PR1 (0.54) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL9107836 0.79 TP53 (0.44) S1PR1S1PR4S1PR5S1PR3
SCHEMBL9108025 0.79 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3MAP4K4

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-2646023-B1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-01-07 EP claimed
US-8906899-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-12-09 US claimed
US-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-14 US claimed
EP-2646023-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8501726-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-06 US claimed
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
WO-2012074703-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
EP-2646023-B1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-01-07 EP disclosed
EP-2646023-B1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2015-01-07 EP disclosed
US-8906899-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-12-09 US disclosed
US-8906899-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-12-09 US disclosed
US-8906899-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-12-09 US disclosed
US-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-14 US disclosed
US-8501726-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-06 US disclosed
US-8501726-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-06 US disclosed
US-8501726-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-06 US disclosed
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074703-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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 (2 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-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR4 5/4885S1PR5 3/4885
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR4 5/4885S1PR5 3/4885

“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.