SCHEMBL552526

SCHEMBL552526

CC(C)CNCc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
LPL P06858 6/20 0.35
LIPG Q9Y5X9 6/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
F11 P03951 1/20 0.33
FFAR1 O14842 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL553104 0.85 LPL (0.43) LPLLIPGGSK3AGSK3BF11
SCHEMBL552697 0.83 KCNH2 (0.38) AAK1LPLLIPGGSK3AGSK3B
SCHEMBL3798379 0.81 LPL (0.38) LPLLIPGGSK3AGSK3BF11
SCHEMBL552720 0.81 FFAR1 (0.37) AAK1LPLLIPGGSK3AGSK3B
SCHEMBL552417 0.80 LPL (0.34) AAK1LPLLIPGGSK3AGSK3B
SCHEMBL552139 0.79 GSK3A (0.35) LPLLIPGGSK3AGSK3BF11
SCHEMBL552832 0.79 L3MBTL1 (0.36) LPLLIPGGSK3AGSK3BF11
SCHEMBL552872 0.78 ESR2 (0.34) LPLLIPGGSK3AGSK3BF11
SCHEMBL552083 0.77 SCN8A (0.37) LPLLIPGGSK3AGSK3B
SCHEMBL2428673 0.76 LIPG (0.45) AAK1LPLLIPGGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (2 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA AAK1 1584/4885LPL 4845/4885LIPG 4457/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA AAK1 1584/4885LPL 4845/4885LIPG 4457/4885

“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.