SCHEMBL10026231

SCHEMBL10026231

CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](CO)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.71
▸ CA9 Q16790 7/20 0.71
▸ CA1 P00915 4/20 0.71
▸ CA2 P00918 2/20 0.71
▸ ALDH1A1 P00352 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ GLA P06280 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ LGALS3 P17931 4/20 0.49
▸ LGALS8 O00214 1/20 0.49
▸ LGALS4 P56470 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LGALS1 P09382 1/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46

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
SCHEMBL10061170 1.00 CA12 (0.71) CA12CA9CA1CA2ALDH1A1
SCHEMBL14178489 1.00 CA12 (0.71) CA12CA9CA1CA2ALDH1A1
SCHEMBL14384088 1.00 CA12 (0.71) CA12CA9CA1CA2ALDH1A1
SCHEMBL14384092 0.98 CA12 (0.68) CA12CA9CA1CA2ALDH1A1
SCHEMBL29556294 0.96 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL29492543 0.96 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL21067965 0.96 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL19418952 0.96 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL10061169 0.93 CA12 (0.60) CA12CA9CA1CA2ALDH1A1
SCHEMBL10026229 0.93 CA12 (0.60) CA12CA9CA1CA2ALDH1A1

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-8148112-B2 Sugar chain containing 4-position halogenated galactose and application thereof NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-04-03 — — US disclosed
US-20090018327-A1 SUGAR CHAIN CONTAINING 4-POSITION HALOGENATED GALACTOSE AND APPLICATION THEREOF NATIONAL UNIVERSITY CORP. HOKKAIDO UNIVERSITY (JP) 2009-01-15 — — 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-20090018327-A1 SUGAR CHAIN CONTAINING 4-POSITION HALOGENATED GALACTOSE AND APPLICATION THEREOF GALK1, GALE, UGGT1 CA12 1344/4885CA9 1217/4885CA1 1944/4885

“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.

Send feedback