SCHEMBL564741

SCHEMBL564741

CCOC(=O)/C(C)=N/Nc1ccc(Oc2ccc(S(C)(=O)=O)cn2)cc1OC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.38
GPR119 Q8TDV5 1/20 0.37
ACACB O00763 2/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4B Q07343 1/20 0.34
KDM4E B2RXH2 1/20 0.33
P2RX3 P56373 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
SCN9A Q15858 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
SCHEMBL15309124 0.90 GCK (0.40) GCKGPR119ACACBALDH1A1TBK1
SCHEMBL15309123 0.90 GCK (0.40) GCKGPR119ACACBALDH1A1TBK1
SCHEMBL564698 0.86 GPR119 (0.36) GCKGPR119
SCHEMBL564699 0.86 GPR119 (0.36) GCKGPR119
SCHEMBL564742 0.85 GCK (0.38) GCKGPR119ACACBPDE4BTBK1
SCHEMBL1677556 0.85 ALDH1A1 (0.38) GCKACACBALDH1A1HTTNPSR1
SCHEMBL1083112 0.85 ALDH1A1 (0.38) GCKACACBALDH1A1HTTNPSR1
SCHEMBL15576381 0.85 ALDH1A1 (0.38) GCKACACBALDH1A1HTTNPSR1
SCHEMBL564386 0.83 PIK3CA (0.34) GCKP2RX3
SCHEMBL1677905 0.83 ACACB (0.37) GCKGPR119ACACBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ACACB 258/4885

“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.