SCHEMBL404053

SCHEMBL404053

CO[C@@H]1CC(COC(C)=O)OC(O)C1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31

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
SCHEMBL404211 0.82 CA2 (0.36) PDK1CA12CA1CA2CA9
SCHEMBL23026198 0.82 — —
SCHEMBL23026199 0.82 — —
SCHEMBL20776462 0.80 CA12 (0.42) PDK1CA12CA1CA2CA9
SCHEMBL22992423 0.80 PDK1 (0.35) PDK1CA12CA1CA2CA9
SCHEMBL16127067 0.76 CA12 (0.48) PDK1CA12CA1CA2CA9
SCHEMBL13365338 0.76 ALDH1A1 (0.35) PDK1CA12CA1CA2CA9
SCHEMBL9943958 0.75 PDK1 (0.41) PDK1CA12CA1CA2CA9
SCHEMBL9943959 0.75 PDK1 (0.41) PDK1CA12CA1CA2CA9
SCHEMBL9943957 0.75 PDK1 (0.41) PDK1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2012-03-15 — — US disclosed
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 — — 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 (2 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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD PDK1 2303/4885CA12 192/4885CA1 121/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD PDK1 2277/4885CA12 191/4885CA1 123/4885

“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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