SCHEMBL9072903

SCHEMBL9072903

COC(=O)c1ccc(NC(=O)C(CC2CCCCC2)NC(=O)c2scc(S(=O)(=O)C(C)C)c2N)nc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GCK P35557 13/20 0.42
▸ USP30 Q70CQ3 5/20 0.39

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
SCHEMBL12227754 0.92 GCK (0.40) GCKUSP30
SCHEMBL9072799 0.76 CTSS (0.52) GCKUSP30
SCHEMBL2515764 0.75 GCK (0.54) GCK
SCHEMBL9072800 0.75 GCK (0.42) GCKUSP30
SCHEMBL2669248 0.74 GCK (0.41) GCKUSP30
SCHEMBL9072902 0.73 GCK (0.45) GCK
SCHEMBL2669273 0.73 AAK1 (0.47) GCK
SCHEMBL2647945 0.69 KCNH2 (0.44) GCK
SCHEMBL9072905 0.69 CTSS (0.52) GCKUSP30
SCHEMBL2518491 0.69 GCK (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — 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-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 NPC1 2933/4885RAB9A 3070/4885GCK 1/4885

“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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