SCHEMBL12345932

SCHEMBL12345932

CCO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2C1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.38
▸ CA2 P00918 6/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ ELANE P08246 2/20 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
SCHEMBL2237367 1.00 CA1 (0.38) CA1CA2CA9CA12CA4
SCHEMBL1261446 0.85 CA2 (0.40) CA1CA2CA9CA12CA4
SCHEMBL12904047 0.83 CA1 (0.39) CA1CA2CA9CA12CA4
SCHEMBL14010731 0.77 CA2 (0.40) CA1CA2CA9CA12CA4
SCHEMBL9124510 0.76 CA2 (0.46) CA1CA2CA9CA12CA4
SCHEMBL14010732 0.76 CA2 (0.40) CA1CA2CA9CA12CA4
SCHEMBL12345933 0.76 CA2 (0.40) CA1CA2CA9CA12CA4
SCHEMBL4107981 0.76 CA2 (0.39) CA1CA2CA9CA12CA4
SCHEMBL2234406 0.74 — —
SCHEMBL23288110 0.73 CA2 (0.41) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 — — US disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 — — US disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 — — WO 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 CA1 2719/4885CA2 2595/4885CA9 1778/4885

“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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