SCHEMBL14158780

SCHEMBL14158780

CN1CCOc2ccc(-c3c[nH]c4nccc(NS(=O)(=O)c5ccccc5)c34)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ CYBB P04839 2/20 0.41
▸ PIK3CD O00329 5/20 0.41
▸ PIK3CA P42336 4/20 0.41
▸ PIK3CB P42338 4/20 0.41
▸ PIK3CG P48736 4/20 0.41
▸ SCN9A Q15858 2/20 0.40
▸ EIF2AK3 Q9NZJ5 1/20 0.39
▸ PIK3R1 P27986 3/20 0.38
▸ MTOR P42345 1/20 0.38
▸ STK4 Q13043 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ USP2 O75604 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
SCHEMBL14158632 0.84 CYBB (0.50) PTGES2KMT2APKMCYBBPIK3CD
SCHEMBL14158532 0.79 CYBB (0.49) PTGES2KMT2APKMCYBBPIK3CD
SCHEMBL14242817 0.79 CYBB (0.45) PTGES2KMT2APKMCYBBEIF2AK3
SCHEMBL14158836 0.77 PIK3CA (0.53) KMT2APKMPIK3CDPIK3CAPIK3CB
SCHEMBL14158722 0.77 LRRK2 (0.52) PKMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14243203 0.76 PFKFB3 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL14243205 0.76 ROCK1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL14242800 0.75 LRRK2 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL14158645 0.75 ROCK1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL14243179 0.74 KEAP1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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 PTGES2 169/4885KMT2A 3215/4885PKM 3131/4885

“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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