SCHEMBL563375

SCHEMBL563375

CCOC(=O)/C(C)=N/Nc1ccc(Oc2ccc(S(C)(=O)=O)nc2)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.36
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
ABCB1 P08183 1/20 0.31
KDR P35968 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30
POLQ O75417 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL564347 0.91 GCK (0.36) GCKMAPTGAAMEN1THRB
SCHEMBL1677602 0.90 GCK (0.36) GCKMAPTGAAMEN1THRB
SCHEMBL12807182 0.90 GCK (0.36) GCKMAPTGAAMEN1THRB
SCHEMBL1038690 0.90 GCK (0.36) GCKMAPTGAAMEN1THRB
SCHEMBL15576378 0.88 GCK (0.35) GCKMAPTGAAMEN1THRB
SCHEMBL1677149 0.88 GCK (0.35) GCKMAPTGAAMEN1THRB
SCHEMBL1038980 0.88 GCK (0.35) GCKMAPTGAAMEN1THRB
SCHEMBL563587 0.85 GAA (0.42) GCKMAPTGAAMEN1KMT2A
SCHEMBL12734249 0.81 MEN1 (0.34) GCKMAPTGAAMEN1THRB
SCHEMBL1039421 0.81 MEN1 (0.34) GCKMAPTGAAMEN1THRB

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 5/4885MAPT 4051/4885GAA 57/4885

“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.