SCHEMBL2946852

SCHEMBL2946852

CC(C)Cc1ccc(-c2nc3ccc(CN4CC(C(=O)O)C4)cc3o2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.60
S1PR3 Q99500 14/20 0.60
S1PR4 O95977 1/20 0.49
S1PR5 Q9H228 1/20 0.49

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
SCHEMBL2942710 0.89 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5
SCHEMBL29151629 0.81 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2947127 0.81 ESR1 (0.42) S1PR1S1PR3
SCHEMBL2949229 0.78 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL29151614 0.76 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5
SCHEMBL29151631 0.75 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5
SCHEMBL29151627 0.75 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5
SCHEMBL29151630 0.75 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1815328 0.75 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL20615396 0.75 S1PR1 (1.00) S1PR1S1PR3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US claimed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US claimed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP claimed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US claimed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 WO claimed
CN-1791592-B Immunosuppressant compounds and compositions IRM LLC 2012-07-04 CN disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US 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
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 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-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
CN-1791592-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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 (3 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-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR4 211/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR4 211/4885
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 178/4885S1PR3 370/4885S1PR4 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.