SCHEMBL9103328

SCHEMBL9103328

CC(=NOCC(Oc1ccc(C)c(C)c1)c1cccc(Cl)c1)c1ccc(CN2CC(C(=O)O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.50
S1PR5 Q9H228 13/20 0.50
LTK P29376 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
S1PR3 Q99500 1/20 0.41
PDGFRA P16234 2/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL9103324 1.00 S1PR1 (0.50) S1PR1S1PR5LTKTAOK1S1PR3
SCHEMBL9101763 0.86 S1PR1 (0.47) S1PR1S1PR5S1PR3
SCHEMBL9101769 0.86 S1PR1 (0.47) S1PR1S1PR5S1PR3
SCHEMBL9103326 0.81 S1PR1 (0.54) S1PR1S1PR5LTKTAOK1PDGFRA
SCHEMBL9103332 0.81 S1PR1 (0.54) S1PR1S1PR5LTKTAOK1PDGFRA
SCHEMBL9103313 0.80 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL9103319 0.80 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL9107346 0.79 S1PR5 (0.43) S1PR1S1PR5S1PR3
SCHEMBL9107349 0.79 S1PR5 (0.43) S1PR1S1PR5S1PR3
SCHEMBL16182053 0.78 S1PR1 (0.50) S1PR1S1PR5LTKTAOK1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646018-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8518932-B2 Oxime azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-27 US claimed
WO-2012074780-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646018-B1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-22 EP disclosed
US-20130310360-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-21 US disclosed
EP-2646018-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8518932-B2 Oxime azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-27 US disclosed
WO-2012074780-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142661-A1 NOVEL OXIME 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 (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-20130310360-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885LTK 514/4885
US-20120142661-A1 NOVEL OXIME AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885LTK 514/4885

“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.