SCHEMBL21189474

SCHEMBL21189474

Brc1ccc(C#CSI)s1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30

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
SCHEMBL14849674 0.71 — —
SCHEMBL22779169 0.71 ALDH1A1 (0.33) —
SCHEMBL22797358 0.71 DPP4 (0.44) —
SCHEMBL7580960 0.67 CYP2C19 (0.39) CES2CES1
SCHEMBL8305778 0.67 APP (0.50) —
SCHEMBL21189785 0.67 CES2 (0.30) CES2CES1
SCHEMBL29216895 0.65 IKBKB (0.36) —
SCHEMBL12964481 0.65 SNCA (0.38) CES2CES1
SCHEMBL21952065 0.64 MAPK10 (0.31) —
SCHEMBL22163273 0.64 — —

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-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 CES2 2520/4885CES1 804/4885
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS2, LGALS3 CES2 2520/4885CES1 804/4885

“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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