SCHEMBL563602

SCHEMBL563602

CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(N)=O)cc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.46
TBK1 Q9UHD2 2/20 0.37
HRH3 Q9Y5N1 3/20 0.35
SLC6A9 P48067 1/20 0.35
XDH P47989 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
LRRK2 Q5S007 1/20 0.34
BRD4 O60885 1/20 0.34
PDE4D Q08499 1/20 0.34
BTK Q06187 1/20 0.34
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 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
SCHEMBL564683 0.92 GCK (0.46) GCKTBK1HRH3SLC6A9XDH
SCHEMBL564635 0.88 GCK (0.39) GCKTBK1HRH3SLC6A9LRRK2
SCHEMBL564632 0.88 GCK (0.43) GCKTBK1HRH3XDHBRD4
SCHEMBL564358 0.87 GCK (0.38) GCKPDE4D
SCHEMBL1078304 0.86 RORC (0.39) GCKLRRK2BRD4
SCHEMBL564631 0.83 GCK (0.35) GCKTBK1HRH3BRD4PDE4D
SCHEMBL1076346 0.82 GCK (0.40) GCKXDHBRD4
SCHEMBL563581 0.80 GCK (0.39) GCKTBK1HRH3SLC6A9LRRK2
SCHEMBL1076088 0.79 GCK (0.45) GCKXDHBRD4
SCHEMBL564250 0.79 GCK (0.36) GCKPDE4D

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 5/4885TBK1 2600/4885HRH3 4782/4885

“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.