SCHEMBL564683

SCHEMBL564683

CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(=O)O)cc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.46
KMT2A Q03164 1/20 0.39
TBK1 Q9UHD2 2/20 0.37
XDH P47989 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
SLC6A9 P48067 1/20 0.35
BRD4 O60885 1/20 0.35
KAT2B Q92831 1/20 0.34
BAZ2B Q9UIF8 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
SCHEMBL563602 0.92 GCK (0.46) GCKTBK1XDHHRH3SLC6A9
SCHEMBL564632 0.88 GCK (0.43) GCKKMT2ATBK1XDHHRH3
SCHEMBL563581 0.88 GCK (0.39) GCKTBK1HRH3SLC6A9BRD4
SCHEMBL563828 0.87 GCK (0.39) GCKKMT2A
SCHEMBL1076457 0.86 RORC (0.39) GCKKMT2AXDHBRD4
SCHEMBL563680 0.83 GCK (0.35) GCKKMT2AHRH3BRD4KAT2B
SCHEMBL1075126 0.82 KDM4E (0.48) GCKKMT2AXDH
SCHEMBL13665672 0.81 KMT2A (0.43) GCKKMT2AXDH
SCHEMBL564323 0.80 GCK (0.42) GCKTBK1
SCHEMBL564635 0.80 GCK (0.39) GCKTBK1HRH3SLC6A9BRD4

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 5/4885KMT2A 1470/4885TBK1 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.