SCHEMBL563948

SCHEMBL563948

CCOC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)cn3)cc(OC3CCOCC3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.37
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
DGAT1 O75907 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL563581 0.90 GCK (0.39) GCKGPR119DGAT1TBK1BRD4
SCHEMBL564635 0.89 GCK (0.39) GCKGPR119DGAT1TBK1BRD4
SCHEMBL564632 0.89 GCK (0.43) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL564829 0.85 KDM4E (0.38) GCKGPR119KDM4EALDH1A1HPGD
SCHEMBL1074472 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1077540 0.83 ALDH1A1 (0.37) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL565153 0.82 KDM4E (0.37) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL10280306 0.81 GCK (0.34) GCKGPR119DGAT1TBK1
SCHEMBL1077753 0.80 RORC (0.41) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL563669 0.79 GCK (0.35) GCKGPR119DGAT1TBK1

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 1/4885KDM4E 1414/4885

“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.