SCHEMBL563828

SCHEMBL563828

CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(=O)O)cc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.39
GPR119 Q8TDV5 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
KMT2A Q03164 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL564358 0.92 GCK (0.38) GCKGPR119PIK3CDPIK3CARAF1
SCHEMBL564250 0.90 GCK (0.36) GCKGPR119PIK3CDPIK3CARAF1
SCHEMBL564829 0.89 KDM4E (0.38) GCKGPR119PIK3CDPIK3CAKMT2A
SCHEMBL563680 0.87 GCK (0.35) GCKPIK3CAKMT2A
SCHEMBL564683 0.87 GCK (0.46) GCKKMT2A
SCHEMBL563581 0.84 GCK (0.39) GCKGPR119PIK3CA
SCHEMBL564303 0.84 GCK (0.39) GCKPIK3CAKMT2A
SCHEMBL1075201 0.83 KDM4E (0.44) GCKKMT2A
SCHEMBL563538 0.82 GCK (0.39) GCKGPR119PIK3CDPIK3CA
SCHEMBL1074706 0.82 GCK (0.38) GCKKMT2A

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 1/4885PIK3CD 1504/4885

“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.