SCHEMBL12806798

SCHEMBL12806798

CCOc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C=O)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 14/20 0.36
▸ TSHR P16473 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL1074706 0.84 GCK (0.38) GCK
SCHEMBL12806848 0.84 GCK (0.40) GCK
SCHEMBL1076960 0.83 GCK (0.36) GCK
SCHEMBL1677379 0.82 XDH (0.42) GCK
SCHEMBL13665452 0.82 GCK (0.33) GCK
SCHEMBL1075410 0.82 GCK (0.34) GCK
SCHEMBL1074681 0.77 KDM4E (0.41) GCK
SCHEMBL12806809 0.76 GCK (0.36) GCK
SCHEMBL12806953 0.76 GCK (0.35) GCK
SCHEMBL1077510 0.75 GCK (0.34) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 GCK 4/4885TSHR 3947/4885CCNA2 4450/4885

“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.

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