SCHEMBL19680869

SCHEMBL19680869

CCCSC1OC(COC(C)=O)C(OC(C)=O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 17/20 0.59
LGALS1 P09382 4/20 0.49
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA14 Q9ULX7 2/20 0.45

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
SCHEMBL19680866 1.00 LGALS3 (0.59) LGALS3LGALS1CA1CA2CA9
SCHEMBL19665385 1.00 LGALS3 (0.59) LGALS3LGALS1CA1CA2CA9
SCHEMBL19680865 1.00 LGALS3 (0.59) LGALS3LGALS1CA1CA2CA9
SCHEMBL19681021 0.95 LGALS3 (0.60) LGALS3LGALS1CA1CA2CA9
SCHEMBL17993259 0.95 LGALS3 (0.60) LGALS3LGALS1CA1CA2CA9
SCHEMBL19681022 0.95 LGALS3 (0.60) LGALS3LGALS1CA1CA2CA9
SCHEMBL19677756 0.94 LGALS3 (0.57) LGALS3LGALS1CA1CA2CA9
SCHEMBL23319608 0.91 LGALS3 (0.55) LGALS3LGALS1CA1CA2CA9
SCHEMBL29698553 0.90 LGALS3 (0.49) LGALS3LGALS1CA1CA2CA9
SCHEMBL19665316 0.89 LGALS3 (0.49) LGALS3LGALS1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377464-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2022-07-05 US disclosed
US-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2020-12-31 US disclosed
US-10774102-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2020-09-15 US disclosed
US-20170349619-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2017-12-07 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 (4 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-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 LGALS3 2/4885LGALS1 1/4885CA1 667/4885
US-11377464-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 LGALS3 1/4885LGALS1 2/4885CA1 463/4885
US-20170349619-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS3, LGALS1, LGALS2 LGALS3 1/4885LGALS1 2/4885CA1 503/4885
US-10774102-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 LGALS3 1/4885LGALS1 2/4885CA1 463/4885

“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.