SCHEMBL21175112

SCHEMBL21175112

CC(=O)OC[C@H]1O[C@H](S)[C@H](OC(C)=O)[C@@H](n2cc(-c3nccs3)nn2)[C@H]1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.44
CA2 P00918 9/20 0.44
CA9 Q16790 9/20 0.44
CA12 O43570 6/20 0.44
CA14 Q9ULX7 6/20 0.44
LGALS1 P09382 10/20 0.41
LGALS3 P17931 9/20 0.40
LGALS9 O00182 1/20 0.39
LGALS8 O00214 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
LGALS4 P56470 1/20 0.39

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
SCHEMBL21189795 0.82 LGALS3 (0.60) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL21189589 0.82 LGALS1 (0.60) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL19778551 0.82 LGALS1 (0.60) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL19778354 0.82 LGALS3 (0.60) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL21175105 0.82 LGALS1 (0.60) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL21175231 0.82 LGALS3 (0.60) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL19778768 0.81 LGALS1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL21189590 0.80 LGALS1 (0.65) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL21175163 0.80 LGALS1 (0.62) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL19778785 0.80 LGALS1 (0.65) LGALS1LGALS3LGALS9LGALS8LGALS7; LGALS7B

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
CN-109563120-B alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2022-12-02 CN disclosed
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins GALECTO BIOTECH AB (DK) 2021-04-27 US disclosed
US-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2019-07-25 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 (2 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-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS2, LGALS3 CA1 616/4885CA2 1416/4885CA9 853/4885
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS2, LGALS3 CA1 616/4885CA2 1416/4885CA9 853/4885

“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.