SCHEMBL12561443

SCHEMBL12561443

CC[C@H]1SCC2OC(C)(C)O[C@@H]21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 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

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
SCHEMBL14296875 1.00 MGAM (0.31) MGAMCA1CA2GAASI
SCHEMBL14477541 1.00 MGAM (0.31) MGAMCA1CA2GAASI
SCHEMBL29703278 0.82 MGAM (0.30) MGAMCA1CA2GAASI
SCHEMBL14296872 0.82 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL21683414 0.82 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL23288114 0.82 MGAM (0.30) MGAMCA1CA2GAASI
SCHEMBL24509722 0.82 MGAM (0.30) MGAMCA1CA2GAASI
SCHEMBL21685923 0.82 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL14478148 0.76 SMN1; SMN2 (0.40) —
SCHEMBL12629943 0.76 SMN1; SMN2 (0.40) —

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-8329925-B2 Process for preparing substituted 1-O-acyl-2-deoxy-2-fluoro-4-thio-beta-D-arabinofuranoses LIBRAMEDICINA, INC. (JP) 2012-12-11 — — US disclosed
US-20110152542-A1 PROCESS FOR PREPARING SUBSTITUTED 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES LIBRAMEDICINA, INC. (JP) 2011-06-23 — — 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-20110152542-A1 PROCESS FOR PREPARING SUBSTITUTED 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES PFAS, FUCA2, UGT1A6 MGAM 996/4885CA1 1785/4885CA2 4003/4885

“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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