SCHEMBL14158632

SCHEMBL14158632

CN1CCOc2ccc(-c3cn(C)c4nccc(NS(=O)(=O)c5ccccc5)c34)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.50
▸ EIF2AK3 Q9NZJ5 1/20 0.49
▸ PTGES2 Q9H7Z7 1/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ TEK Q02763 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3R1 P27986 2/20 0.36
▸ MTOR P42345 2/20 0.36

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
SCHEMBL14158532 0.95 CYBB (0.49) CYBBEIF2AK3PTGES2KMT2APKM
SCHEMBL14158659 0.88 CYBB (0.47) CYBBEIF2AK3PTGES2PKMHTT
SCHEMBL14242817 0.87 CYBB (0.45) CYBBEIF2AK3PTGES2KMT2APKM
SCHEMBL14242725 0.87 CYBB (0.48) CYBBEIF2AK3PTGES2KMT2APKM
SCHEMBL14158769 0.86 PIK3CD (0.43) CYBBPIK3CDPIK3R1MTOR
SCHEMBL14158777 0.86 EIF2AK3 (0.45) CYBBEIF2AK3PTGES2PKMHTT
SCHEMBL15754133 0.86 CYBB (0.67) CYBBEIF2AK3KMT2APKMTEK
SCHEMBL15753941 0.85 CYBB (0.64) CYBBEIF2AK3PTGES2KMT2APKM
SCHEMBL14158780 0.84 PTGES2 (0.43) CYBBEIF2AK3PTGES2KMT2APKM
SCHEMBL14158981 0.84 CYBB (0.57) CYBBEIF2AK3TEKSLC40A1

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 9 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
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 1/4885EIF2AK3 3658/4885PTGES2 169/4885

“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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