SCHEMBL14158608

SCHEMBL14158608

CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)C3CCOCC3)ccnc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.69
▸ NOTUM Q6P988 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ LRRK2 Q5S007 5/20 0.31
▸ PIK3C3 Q8NEB9 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30
▸ CDK9 P50750 1/20 0.30

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
SCHEMBL14158796 0.90 CYBB (0.55) CYBBNOTUMALOX5APFEN1LRRK2
SCHEMBL14158598 0.87 CYBB (0.70) CYBBNOTUMALOX5APFEN1LRRK2
SCHEMBL14158842 0.84 CYBB (0.59) CYBBNOTUMALOX5APFEN1LRRK2
SCHEMBL14158914 0.82 CYBB (0.57) CYBBNOTUMALOX5APFEN1PIK3C3
SCHEMBL14158471 0.82 CYBB (0.57) CYBBNOTUMALOX5APFEN1PIK3C3
SCHEMBL14158743 0.81 CYBB (1.00) CYBBNOTUMLRRK2PIK3CA
SCHEMBL14158596 0.81 CYBB (1.00) CYBBNOTUMLRRK2PIK3C3RIPK1
SCHEMBL29394613 0.81 CYBB (1.00) CYBBNOTUMLRRK2PIK3C3RIPK1
SCHEMBL14158581 0.80 CYBB (0.55) CYBBNOTUMLRRK2CDK9
SCHEMBL14158839 0.80 CYBB (0.54) CYBBALOX5APFEN1LRRK2

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-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 — — EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 CYBB 1/4885NOTUM 2865/4885ALOX5AP 784/4885

“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.

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