SCHEMBL261463

SCHEMBL261463

CCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 16/20 1.00

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
SCHEMBL261462 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL261880 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL262153 0.95 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL261702 0.95 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL261703 0.95 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL261214 0.92 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL262295 0.92 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL261215 0.92 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL263222 0.90 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL261548 0.90 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069322-B1 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP claimed
US-8133910-B2 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US claimed
US-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-25 US claimed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO claimed
EP-2069322-B1 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-8133910-B2 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-25 US disclosed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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 (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-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885

“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.