SCHEMBL10280653

SCHEMBL10280653

CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CC=O)S4)cc3c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.35
GCK P35557 1/20 0.33
DGAT1 O75907 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
SCHEMBL10280737 0.93 TBK1 (0.34) TBK1GCKDGAT1
SCHEMBL563669 0.92 GCK (0.35) TBK1GCKDGAT1
SCHEMBL564824 0.92 GCK (0.34) TBK1GCKDGAT1
SCHEMBL565004 0.91 GCK (0.35) TBK1GCKDGAT1
SCHEMBL564572 0.90 GCK (0.35) TBK1GCKDGAT1
SCHEMBL564431 0.90 GCK (0.33) TBK1GCK
SCHEMBL10280306 0.89 GCK (0.34) TBK1GCKDGAT1
SCHEMBL565067 0.88 GCK (0.33) TBK1GCK
SCHEMBL12196145 0.87 GCK (0.31) TBK1GCK
SCHEMBL12807202 0.86 GCK (0.32) 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 TBK1 2600/4885GCK 5/4885DGAT1 570/4885

“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.