SCHEMBL9107584

SCHEMBL9107584

Cc1ccc(CC(C#Cc2ccc(CN3CC(C(=O)O)C3)cc2)c2ccc(Cl)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.49
TNK2 Q07912 1/20 0.48
S1PR5 Q9H228 10/20 0.47
LTK P29376 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43

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
SCHEMBL9108553 0.90 S1PR1 (0.48) S1PR1TNK2S1PR5LTKTAOK1
SCHEMBL9110086 0.87 TNK2 (0.46) S1PR1TNK2S1PR5
SCHEMBL9284862 0.85 S1PR1 (0.48) S1PR1TNK2S1PR5
SCHEMBL10060848 0.85 S1PR5 (0.56) S1PR1S1PR5LTKTAOK1
SCHEMBL9107271 0.84 S1PR1 (0.46) S1PR1TNK2S1PR5
SCHEMBL9105997 0.81 S1PR1 (0.45) S1PR1S1PR5
SCHEMBL9108541 0.81 S1PR5 (0.57) S1PR1TNK2S1PR5
SCHEMBL9110660 0.77 S1PR1 (0.49) S1PR1
SCHEMBL10060820 0.77 S1PR1 (0.52) S1PR1S1PR5
SCHEMBL9110127 0.75 S1PR5 (0.51) S1PR1TNK2S1PR5

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-8993553-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US claimed
US-20130310359-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US claimed
EP-2646415-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8492561-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US claimed
US-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
WO-2012074926-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-8993553-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed
US-8993553-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed
US-8993553-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2015-03-31 US disclosed
US-20130310359-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
US-20130310359-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
EP-2646415-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8492561-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-8492561-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-8492561-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074926-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
WO-2012074926-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-20130310359-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885TNK2 884/4885S1PR5 3/4885
US-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885TNK2 884/4885S1PR5 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.