SCHEMBL564635

SCHEMBL564635

CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(N)=O)cc3c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.39
GPR119 Q8TDV5 1/20 0.36
TBK1 Q9UHD2 2/20 0.36
DGAT1 O75907 1/20 0.36
PIK3CA P42336 2/20 0.35
PDE4D Q08499 1/20 0.34
BRD4 O60885 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SCN9A Q15858 2/20 0.33
SYK P43405 1/20 0.33
SLC6A9 P48067 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACACB O00763 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32

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
SCHEMBL563581 0.92 GCK (0.39) GCKGPR119TBK1DGAT1PIK3CA
SCHEMBL563948 0.89 GCK (0.37) GCKGPR119TBK1DGAT1PIK3CA
SCHEMBL563602 0.88 GCK (0.46) GCKTBK1PDE4DBRD4LRRK2
SCHEMBL564358 0.84 GCK (0.38) GCKGPR119PIK3CAPDE4DFGFR1
SCHEMBL1077264 0.84 KCNH2 (0.37) GCKBRD4
SCHEMBL1077179 0.82 GCK (0.37) GCKGPR119BRD4
SCHEMBL565004 0.81 GCK (0.35) GCKGPR119TBK1DGAT1SCN9A
SCHEMBL564631 0.80 GCK (0.35) GCKTBK1PIK3CAPDE4DBRD4
SCHEMBL563669 0.80 GCK (0.35) GCKGPR119TBK1DGAT1SCN9A
SCHEMBL564683 0.80 GCK (0.46) GCKTBK1BRD4SLC6A9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 GCK 5/4885GPR119 1/4885TBK1 2600/4885

“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.