SCHEMBL4281252

SCHEMBL4281252

Cc1cc(-c2nc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)no2)cc(C)c1OCCO

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.80
S1PR3 Q99500 14/20 0.80
S1PR5 Q9H228 1/20 0.54

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
SCHEMBL4275506 0.93 S1PR1 (0.80) S1PR1S1PR3S1PR5
SCHEMBL4272571 0.90 S1PR1 (0.86) S1PR1S1PR3S1PR5
SCHEMBL4276052 0.89 S1PR1 (0.77) S1PR1S1PR3S1PR5
SCHEMBL4274941 0.89 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL4281220 0.89 S1PR1 (0.84) S1PR1S1PR3S1PR5
SCHEMBL4273762 0.86 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL4279366 0.85 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL5510818 0.85 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL4272398 0.84 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL4265224 0.84 S1PR1 (0.69) S1PR1S1PR3S1PR5

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
US-7605269-B2 Thiophene derivatives as Sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-20 US claimed
US-20080318955-A1 Novel Thiophene Derivatives as Sphingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-25 US claimed
EP-1863474-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 EP claimed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
US-7605269-B2 Thiophene derivatives as Sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-20 US disclosed
US-20080318955-A1 Novel Thiophene Derivatives as Sphingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-25 US disclosed
EP-1863474-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 EP disclosed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 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-20080318955-A1 Novel Thiophene Derivatives as Sphingosine-1-Phosphate-1 Receptor Agonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR5 5/4885

“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.