SCHEMBL14158630

SCHEMBL14158630

CC1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2N1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.37
▸ LIPG Q9Y5X9 13/20 0.37
▸ ROCK1 Q13464 1/20 0.36
▸ BACE1 P56817 4/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL15096664 0.74 LIPG (0.42) LPLLIPGROCK1BACE1IRAK4
SCHEMBL21674425 0.74 LPL (0.35) LPLLIPGROCK1BACE1IRAK4
SCHEMBL13731679 0.74 NOTUM (0.39) LPLLIPGROCK1BACE1IRAK4
SCHEMBL23564363 0.73 ROCK1 (0.37) LPLLIPGROCK1BACE1IRAK4
SCHEMBL21024161 0.72 LPL (0.40) LPLLIPGROCK1IRAK4CA1
SCHEMBL17948555 0.71 MEN1 (0.38) LPLLIPGROCK1BACE1IRAK4
SCHEMBL14822226 0.71 BACE1 (0.39) LPLLIPGROCK1BACE1CA1
SCHEMBL24347623 0.71 LPL (0.33) LPLLIPGROCK1BACE1
SCHEMBL31394828 0.71 ROCK1 (0.44) LPLLIPGROCK1BACE1IRAK4
SCHEMBL20206428 0.71 LPL (0.42) LPLLIPGROCK1IRAK4CA1

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 4 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-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 LPL 1212/4885LIPG 350/4885ROCK1 852/4885

“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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