SCHEMBL1176038

SCHEMBL1176038

CCc1cc(C#N)cc(C)c1OC[C@@H](O)CNC(=O)CO

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.54
S1PR3 Q99500 10/20 0.52

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
SCHEMBL1176040 1.00 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1174770 0.83 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1174771 0.83 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1174767 0.83 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1175396 0.80 TSHR (0.49) S1PR1S1PR3
SCHEMBL1175393 0.80 TSHR (0.49) S1PR1S1PR3
SCHEMBL3086420 0.79 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL1174844 0.79 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL3092062 0.79 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL1174762 0.78 S1PR1 (0.54) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970236-B1 PYRIDIN-4-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-30 EP disclosed
US-9617250-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-04-11 US disclosed
US-20160031866-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-04 US disclosed
EP-2970236-A1 PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-01-20 EP disclosed
WO-2014141171-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO disclosed
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US disclosed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
EP-2454255-B1 PYRIDIN-4-YL DERIVATIVES AS S1P1/EDG1 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009109906-A1 PYRIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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-20160031866-A1 PYRIDIN-4-YL DERIVATIVES CD4, IL2, CD47 S1PR1 64/4885S1PR3 108/4885
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD S1PR1 989/4885S1PR3 943/4885

“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.