Sugi Predict

Sugi Predict / Compounds / SCHEMBL460047

SCHEMBL460047

SCHEMBL460047

COC[C@H](C)Oc1cc(Oc2cnc(S(C)(=O)=O)cn2)cc(-c2ccc(C3=NC(O)[C@H](C)O3)[nH]2)c1.C[C@@H]1OC(c2ccc(-c3cc(Oc4cnc(S(C)(=O)=O)cn4)cc(O[C@@H](C)CO)c3)[nH]2)=NC1O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 20/20 0.40
▸ KCNH2 Q12809 2/20 0.32

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
SCHEMBL421977 0.97 GCK (0.42) GCKKCNH2
SCHEMBL1056778 0.96 GCK (0.38) GCK
SCHEMBL422476 0.91 GCK (0.42) GCKKCNH2
SCHEMBL1056819 0.90 GCK (0.41) GCKKCNH2
SCHEMBL458524 0.89 GCK (0.38) GCK
SCHEMBL421817 0.89 GCK (0.38) GCK
SCHEMBL10225825 0.88 GCK (0.38) GCK
SCHEMBL424303 0.84 GCK (0.42) GCKKCNH2
SCHEMBL426710 0.84 GCK (0.42) GCKKCNH2
SCHEMBL422467 0.84 GCK (0.40) 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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 — — 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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GCK 2/4885KCNH2 197/4885

“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.