SCHEMBL20868458

SCHEMBL20868458

Cn1cc(-c2cc(F)c(F)c(F)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.39
▸ DYRK1A Q13627 5/20 0.39
▸ LGALS3 P17931 13/20 0.39
▸ LGALS1 P09382 3/20 0.39
▸ WNT1 P04628 1/20 0.38
▸ KAT8 Q9H7Z6 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ KDM3A Q9Y4C1 1/20 0.36

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
SCHEMBL21955600 0.83 KDM4E (0.41) GSK3BDYRK1AWNT1KAT8KDM4E
SCHEMBL3589343 0.82 LGALS3 (0.37) GSK3BDYRK1ALGALS3LGALS1WNT1
SCHEMBL15542994 0.81 GSK3B (0.44) GSK3BDYRK1ALGALS3LGALS1WNT1
SCHEMBL17795637 0.79 GSK3B (0.46) GSK3BDYRK1AWNT1
SCHEMBL22821500 0.78 LGALS3 (0.37) LGALS3LGALS1
SCHEMBL20868849 0.78 KMO (0.44) GSK3BDYRK1ALGALS3WNT1KDM4C
SCHEMBL23346361 0.77 LGALS3 (0.39) LGALS3LGALS1
SCHEMBL17806601 0.75 GSK3B (0.41) GSK3BDYRK1AWNT1
SCHEMBL2682667 0.74 PTGS2 (0.49) GSK3BDYRK1AWNT1KDM4E
SCHEMBL15729262 0.74 DPP4 (0.41) GSK3BDYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230038373-A1 STABILE CONJUGATE GLYKOS BIOMEDICAL OY (FI) 2023-02-09 — — US disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 — — WO disclosed
WO-2021123506-A1 STABILE CONJUGATE GLYKOS BIOMEDICAL OY (FI) 2021-06-24 — — WO disclosed
US-20210138080-A1 CONJUGATES GLYKOS BIOMEDICAL OY (FI) 2021-05-13 — — US disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 — — WO disclosed
WO-2020002765-A1 CONJUGATES GLYKOS BIOMEDICAL OY (FI) 2020-01-02 — — WO disclosed
WO-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 — — WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 — — 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 (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-20210138080-A1 CONJUGATES LGALS1, LGALS3BP, LGALS2 GSK3B 4076/4885DYRK1A 2612/4885LGALS3 6/4885
US-20230038373-A1 STABILE CONJUGATE CD2, TTL, DDOST GSK3B 3998/4885DYRK1A 2304/4885LGALS3 2470/4885

“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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