SCHEMBL883930

SCHEMBL883930

[O]CC(O)CN1CC(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 15/20 0.38
S1PR1 P21453 10/20 0.38
POLB P06746 1/20 0.35
S1PR3 Q99500 2/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL884179 0.85 S1PR5 (0.39) S1PR5S1PR1S1PR3S1PR4
SCHEMBL883931 0.84 MAPT (0.47) S1PR5S1PR1POLBS1PR3S1PR4
SCHEMBL3275809 0.78 BRD4 (0.38) S1PR1MEN1KMT2A
SCHEMBL1830735 0.78 S1PR5 (0.39) S1PR5S1PR1POLBS1PR3S1PR4
SCHEMBL1858232 0.76 MAPK1 (0.31)
SCHEMBL4678480 0.75 POLB (0.53) S1PR5S1PR1POLBS1PR3S1PR4
SCHEMBL2353875 0.72 S1PR5 (0.41) S1PR5S1PR1S1PR3S1PR4
SCHEMBL13905850 0.72 S1PR5 (0.42) S1PR5S1PR1POLBS1PR3S1PR4
SCHEMBL30479891 0.72 POLB (0.42) S1PR5S1PR1POLBS1PR3S1PR4
SCHEMBL29226681 0.72 S1PR5 (0.38) S1PR5S1PR1POLBS1PR3S1PR4

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103313981-B 2-methoxyl group-pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-11 CN claimed
US-9133179-B2 2-methoxy-pyridin-4-yl-derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-15 US claimed
EP-2665720-B1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-10 EP claimed
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP claimed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP claimed
EP-2665720-A1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-11-27 EP claimed
US-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-14 US claimed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP claimed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US claimed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP claimed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO claimed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP claimed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
EP-1863475-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
WO-2007046075-A1 PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2007-04-26 WO claimed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 WO claimed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed

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-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES CD4, IL2, IL4 S1PR5 200/4885S1PR1 121/4885POLB 3667/4885

“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.