SCHEMBL12598611

SCHEMBL12598611

CO[C@H]1OC(CC(C(=O)O)C(=O)O)[C@@H](O)[C@H](O)C1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 4/20 0.47
▸ LGALS8 O00214 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41

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
SCHEMBL13632489 1.00 G6PD (0.47) G6PDLGALS8GAACA1CA2
SCHEMBL25496859 0.83 PRKD3 (0.45) GAACA1CA2CA9
SCHEMBL21706809 0.83 G6PD (0.44) G6PDLGALS8CA1CA2CA9
SCHEMBL5679954 0.81 G6PD (0.49) G6PDLGALS8GAACA1CA2
SCHEMBL14257075 0.81 G6PD (0.45) G6PDGAACA1CA2CA9
SCHEMBL13955990 0.81 G6PD (0.45) G6PDGAACA1CA2CA9
SCHEMBL23788328 0.81 G6PD (0.49) G6PDLGALS8GAACA1CA2
SCHEMBL402992 0.81 G6PD (0.45) G6PDGAACA1CA2CA9
SCHEMBL17191619 0.81 G6PD (0.45) G6PDGAACA1CA2CA9
SCHEMBL25525890 0.79 IGF2R (0.40) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112044-A1 NOVEL USES OF D-MANNOPYRANOSE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 — — 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-20110112044-A1 NOVEL USES OF D-MANNOPYRANOSE DERIVATIVES M6PR, BMP6, DCPS G6PD 206/4885LGALS8 49/4885GAA 3551/4885

“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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