SCHEMBL2746833

SCHEMBL2746833

CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.62
S1PR3 Q99500 13/20 0.62

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
SCHEMBL1853909 0.83 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL1858171 0.82 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL1857592 0.81 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL1860290 0.81 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL1853479 0.80 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL1857959 0.80 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL1864745 0.80 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1856225 0.80 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL2747677 0.79 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL1854600 0.79 S1PR1 (0.64) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP claimed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US claimed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP claimed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO claimed
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US disclosed
US-8178562-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2012-05-15 US disclosed
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP disclosed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 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-20090005421-A1 Novel Pyridine Derivatives NFATC1, TPMT, CD47 S1PR1 1245/4885S1PR3 1086/4885
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES NFATC1, TPMT, CD47 S1PR1 1245/4885S1PR3 1086/4885

“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.