SCHEMBL1420132

SCHEMBL1420132

CCOC(=O)CCc1cn(C)c2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)ccc(F)c12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR5 Q9H228 10/20 0.55
S1PR3 Q99500 9/20 0.55
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1420390 0.92 S1PR1 (0.67) S1PR1S1PR5S1PR3
SCHEMBL13497727 0.89 S1PR1 (0.53) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL10300800 0.86 S1PR1 (0.52) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL1420177 0.85 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL2121776 0.85 S1PR1 (0.57) S1PR1S1PR5S1PR3CYP3A4CYP2C9
SCHEMBL2132488 0.84 S1PR1 (0.57) S1PR1S1PR5S1PR3KCNH2
SCHEMBL1420386 0.82 S1PR1 (0.58) S1PR1S1PR5S1PR3
SCHEMBL2133258 0.81 S1PR1 (0.67) S1PR1S1PR5S1PR3
SCHEMBL2135984 0.81 S1PR1 (0.56) S1PR1S1PR5S1PR3
SCHEMBL13540039 0.80 S1PR1 (0.70) S1PR1S1PR5S1PR3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
EP-2297139-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-03-23 EP disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 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 (3 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-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR5 1843/4885S1PR3 1694/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR5 1843/4885S1PR3 1694/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR5 1843/4885S1PR3 1694/4885

“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.