SCHEMBL1853701

SCHEMBL1853701

CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNS(=O)(=O)CC

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.79
S1PR3 Q99500 17/20 0.79

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
SCHEMBL1858769 0.96 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL1854979 0.94 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1858256 0.90 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL1858713 0.89 S1PR1 (0.82) S1PR1S1PR3
SCHEMBL1862165 0.88 S1PR1 (0.92) S1PR1S1PR3
SCHEMBL1858716 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1859848 0.88 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL1853090 0.88 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1858203 0.87 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1860222 0.87 S1PR1 (0.86) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US claimed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP claimed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US disclosed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP disclosed