SCHEMBL3214294

SCHEMBL3214294

Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CO)c(Cl)c3)no2)cc(CC(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.63
S1PR3 Q99500 15/20 0.63
MAP4K4 O95819 1/20 0.48
PRKCD Q05655 1/20 0.48
MINK1 Q8N4C8 1/20 0.48

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
SCHEMBL3212226 1.00 S1PR1 (0.63) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL3220262 1.00 S1PR1 (0.63) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL3220471 0.93 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3211856 0.93 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3211831 0.93 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3210591 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3218817 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3210554 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3220732 0.90 S1PR1 (0.54) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL3215376 0.90 S1PR1 (0.54) S1PR1S1PR3MAP4K4PRKCDMINK1

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 5 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
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US 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

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 102/4885MAP4K4 1715/4885

“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.