SCHEMBL3135322

SCHEMBL3135322

CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)nc3)no2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.79
S1PR5 Q9H228 13/20 0.79
S1PR4 O95977 10/20 0.79
S1PR3 Q99500 7/20 0.79
MAP4K4 O95819 1/20 0.56
MINK1 Q8N4C8 1/20 0.56

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
SCHEMBL3133965 0.96 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3
SCHEMBL5383882 0.88 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL29151625 0.88 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3135332 0.88 S1PR1 (0.61) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL3134378 0.87 S1PR1 (0.59) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL3128427 0.86 S1PR1 (0.61) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL3136469 0.86 S1PR1 (0.70) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL3126053 0.86 S1PR1 (0.60) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL3127782 0.85 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3MAP4K4
SCHEMBL3125972 0.85 S1PR1 (0.59) S1PR1S1PR5S1PR4S1PR3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP claimed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US claimed
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-05-15 US claimed
EP-1873153-A1 HETEROCYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-02 EP claimed
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-05-15 US disclosed
EP-1873153-A1 HETEROCYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-02 EP 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 (1 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-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds TPMT, AZI2, IDO1 S1PR1 178/4885S1PR5 276/4885S1PR4 380/4885

“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.