SCHEMBL3219306

SCHEMBL3219306

CCc1cc(-c2nc(-c3cc(C)c(CCC(=O)NC)c(CC)c3)no2)cc(C)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.55
S1PR3 Q99500 15/20 0.55
S1PR5 Q9H228 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL3223933 0.90 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL3214460 0.90 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL3220799 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL3206992 0.82 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL3219262 0.80 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL3214395 0.80 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL3276153 0.78 S1PR1 (0.51) S1PR1S1PR3S1PR5
SCHEMBL1424804 0.78 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL3276866 0.77 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL3276045 0.77 S1PR1 (0.56) S1PR1S1PR3S1PR5

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 8 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
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

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.