SCHEMBL9072799

SCHEMBL9072799

COC(=O)c1ccc(NC(=O)C(CC2CCCCC2)NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 2/20 0.52
▸ AAK1 Q2M2I8 2/20 0.51
▸ GCK P35557 7/20 0.43
▸ REN P00797 1/20 0.42
▸ USP30 Q70CQ3 4/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CYP3A4 P08684 1/20 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
SCHEMBL9072905 0.91 CTSS (0.52) CTSSCTSKAAK1GCKREN
SCHEMBL27192808 0.82 CTSS (0.55) CTSSCTSKAAK1GCKREN
SCHEMBL27192669 0.82 CTSS (0.55) CTSSCTSKAAK1GCKREN
SCHEMBL5047380 0.82 CTSK (0.46) CTSSCTSK
SCHEMBL2669273 0.80 AAK1 (0.47) AAK1GCK
SCHEMBL2669248 0.79 GCK (0.41) CTSSCTSKGCKUSP30
SCHEMBL4102259 0.77 AAK1 (0.48) CTSSCTSKAAK1GCKUSP30
SCHEMBL9072800 0.77 GCK (0.42) CTSSCTSKGCKUSP30
SCHEMBL27192711 0.77 CTSS (0.58) CTSSCTSKAAK1USP30CYP3A4
SCHEMBL27192706 0.77 CTSS (0.58) CTSSCTSKAAK1USP30CYP3A4

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 CTSS 843/4885CTSK 100/4885AAK1 189/4885

“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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