SCHEMBL4662856

SCHEMBL4662856

Cc1cc(SCc2ccc(CN3CC(C(=O)O)C3)cc2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 17/20 0.52
S1PR1 P21453 14/20 0.52
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL13271329 0.86 S1PR5 (0.52) S1PR5S1PR1S1PR3S1PR4
SCHEMBL16493505 0.86 MEN1 (0.37) S1PR5S1PR1POLB
SCHEMBL4663091 0.84 S1PR5 (0.53) S1PR5S1PR1S1PR3S1PR4
SCHEMBL27644546 0.77 S1PR1 (0.52) S1PR5S1PR1S1PR3S1PR4
SCHEMBL13271331 0.77 S1PR5 (0.58) S1PR5S1PR1S1PR3S1PR4
SCHEMBL31395235 0.76 S1PR5 (0.67) S1PR5S1PR1S1PR3S1PR4
SCHEMBL31395229 0.76 S1PR5 (0.67) S1PR5S1PR1S1PR3S1PR4
SCHEMBL4664486 0.74 S1PR5 (0.56) S1PR5S1PR1S1PR3S1PR4
SCHEMBL13215741 0.73 S1PR5 (0.91) S1PR5S1PR1S1PR3S1PR4
SCHEMBL9915003 0.73 S1PR5 (0.91) S1PR5S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP claimed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP claimed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US claimed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP claimed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US claimed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO claimed
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP 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
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
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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-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 S1PR5 276/4885S1PR1 178/4885S1PR3 370/4885
US-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR5 70/4885S1PR1 133/4885S1PR3 142/4885

“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.