SCHEMBL3215692

SCHEMBL3215692

CCCc1cc(-c2nc(-c3cc(C)c(O)c(C)c3)no2)cc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.53
S1PR3 Q99500 11/20 0.53
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3223317 0.93 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL3211545 0.91 S1PR1 (0.52) S1PR1S1PR3NPC1RAB9A
SCHEMBL1424742 0.90 S1PR1 (0.50) S1PR1S1PR3NPC1RAB9AGAA
SCHEMBL1424912 0.88 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9AGAA
SCHEMBL3219262 0.84 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL3214395 0.84 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1425035 0.81 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AGAA
SCHEMBL3275344 0.81 S1PR1 (0.44) S1PR1S1PR3NPC1RAB9A
SCHEMBL3215350 0.80 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL3215368 0.80 S1PR1 (0.69) 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 10 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 claimed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP claimed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US claimed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO claimed
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 102/4885NPC1 4170/4885

“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.