SCHEMBL552417

SCHEMBL552417

CC1(C)OB(c2cncc(CNCC(F)(F)F)c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.34
LIPG Q9Y5X9 7/20 0.34
FFAR1 O14842 1/20 0.34
DGAT1 O75907 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
F11 P03951 2/20 0.33
CYP2D6 P10635 1/20 0.31
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CXCR2 P25025 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
SCHEMBL552720 0.88 FFAR1 (0.37) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL553104 0.83 LPL (0.43) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL17847104 0.82 LPL (0.38) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL3798379 0.80 LPL (0.38) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL552526 0.80 AAK1 (0.35) LPLLIPGFFAR1GSK3AGSK3B
SCHEMBL552139 0.78 GSK3A (0.35) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL552832 0.78 L3MBTL1 (0.36) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL2425029 0.77 LIPG (0.40) LPLLIPGFFAR1DGAT1GSK3A
SCHEMBL552872 0.77 ESR2 (0.34) LPLLIPGFFAR1GSK3AGSK3B
SCHEMBL552697 0.77 KCNH2 (0.38) LPLLIPGFFAR1DGAT1GSK3A

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-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

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 LPL 4845/4885LIPG 4457/4885FFAR1 1102/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA LPL 4845/4885LIPG 4457/4885FFAR1 1102/4885

“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.