SCHEMBL402647

SCHEMBL402647

CCSC1OC2COC(C)(C)O[C@H]2[C@@H](OC)C1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ METAP2 P50579 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ TSHR P16473 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
SCHEMBL5460304 1.00 PKM (0.35) PKMCA2CA1CA9METAP2
SCHEMBL1648065 0.85 ALDH1A1 (0.37) METAP2TSHR
SCHEMBL12729386 0.85 ALDH1A1 (0.37) METAP2TSHR
SCHEMBL454715 0.83 CA1 (0.35) CA2CA1CA9
SCHEMBL404047 0.83 CA1 (0.35) CA2CA1CA9
SCHEMBL14389032 0.83 CA1 (0.35) CA2CA1CA9
SCHEMBL14362931 0.82 METAP2 (0.37) METAP2
SCHEMBL2456071 0.79 CA2 (0.36) CA2CA1CA9MMP1MMP3
SCHEMBL12411311 0.73 NT5E (0.36) METAP2
SCHEMBL12233109 0.73 CA1 (0.37) CA2CA1CA9

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 PKM 4229/4885CA2 268/4885CA1 121/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD PKM 4216/4885CA2 273/4885CA1 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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