SCHEMBL563822

SCHEMBL563822

CS(=O)(=O)c1ccc(Oc2ccc(N)c(OC3CCOCC3)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.41
PIK3CA P42336 3/20 0.38
TBK1 Q9UHD2 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PIK3R1 P27986 1/20 0.37
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 1/20 0.36
ACACB O00763 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL564284 0.86 TXNRD1 (0.40) GCKPIK3CATBK1PTGS1PTGS2
SCHEMBL564654 0.81 PIK3CA (0.41) GCKPIK3CATBK1GPR119PIK3R1
SCHEMBL15309124 0.79 GCK (0.40) GCKTBK1GPR119ACACBLMNA
SCHEMBL15309123 0.79 GCK (0.40) GCKTBK1GPR119ACACBLMNA
SCHEMBL564669 0.78 BRD4 (0.38) GCKPIK3CABRD4
SCHEMBL564635 0.78 GCK (0.39) GCKPIK3CATBK1GPR119LRRK2
SCHEMBL1677263 0.77 ALDH1A1 (0.43) GCKPTGS1PTGS2ALOX5APFEN1
SCHEMBL563581 0.76 GCK (0.39) GCKPIK3CATBK1GPR119LRRK2
SCHEMBL564742 0.76 GCK (0.38) GCKTBK1GPR119ACACB
SCHEMBL564741 0.76 GCK (0.38) GCKTBK1GPR119ACACBNPSR1

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 5/4885PIK3CA 875/4885TBK1 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.