SCHEMBL3221515

SCHEMBL3221515

CCc1cc(-c2ncc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.44
S1PR3 Q99500 10/20 0.44
S1PR5 Q9H228 1/20 0.35
PTPN1 P18031 1/20 0.33

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
SCHEMBL1425183 0.84 S1PR1 (0.39) S1PR1S1PR3S1PR5PTPN1
SCHEMBL27848750 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL3211839 0.82 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL3211821 0.82 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL3210925 0.81 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL3211925 0.81 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL3218799 0.80 S1PR1 (0.46) S1PR1S1PR3S1PR5PTPN1
SCHEMBL3080072 0.78 IRAK4 (0.32) S1PR1S1PR3PTPN1
SCHEMBL3225305 0.75 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL3219262 0.70 S1PR1 (0.55) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
CN-101511827-B Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-01 CN disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
CN-101511827-A Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2009-08-19 CN disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 S1PR1 96/4885S1PR3 102/4885S1PR5 140/4885

“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.