SCHEMBL5041522

SCHEMBL5041522

CC1(C)O[C@H]2C[C@@H](O)C[C@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL8430271 1.00 MGAM (0.37) MGAMCA1CA2GAASI
SCHEMBL9263179 0.83 MGAM (0.37) MGAMCA1CA2GAASI
SCHEMBL16791667 0.82 L3MBTL1 (0.35) MGAMCA1CA2GAASI
SCHEMBL18681405 0.74 MGAM (0.31) MGAMCA1CA2GAASI
SCHEMBL5982762 0.74 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL12459484 0.74 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL14212823 0.74 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL12198640 0.74 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL10306479 0.74 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL14182040 0.74 MGAM (0.33) MGAMCA1CA2GAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 — — EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 — — US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 — — EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 — — US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 — — 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 MGAM 1345/4885CA1 518/4885CA2 580/4885

“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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