SCHEMBL1016184

SCHEMBL1016184

N#Cc1cc(-c2nc(-c3cccc4c(CCC(=O)O)nccc34)no2)ccc1N1CCC(F)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.42
S1PR3 Q99500 6/20 0.42
S1PR5 Q9H228 6/20 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
SCHEMBL1014880 0.90 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1014881 0.88 S1PR1 (0.42) S1PR1
SCHEMBL1014838 0.87 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL1016062 0.84 S1PR1 (0.58) S1PR1S1PR3S1PR5
SCHEMBL1014841 0.81 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL1012986 0.79 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL1015139 0.79 S1PR1 (0.66) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1015593 0.78 S1PR1 (0.65) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1014089 0.77 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL1015234 0.76 S1PR1 (0.51) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US claimed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP claimed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US claimed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP claimed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO claimed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR3 1694/4885S1PR5 1843/4885

“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.