SCHEMBL29508355

SCHEMBL29508355

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.86
SLCO2B1 O94956 2/20 0.86
KDM1A O60341 2/20 0.82
SYNJ2 O15056 1/20 0.80
GSK3B P49841 2/20 0.71
CYP19A1 P11511 2/20 0.71
UBE2N P61088 1/20 0.71
PKM P14618 1/20 0.67
TRPA1 O75762 1/20 0.66
P4HB P07237 1/20 0.66
TRPV1 Q8NER1 1/20 0.66
TDP1 Q9NUW8 2/20 0.65
POLB P06746 1/20 0.65
CALM1 P0DP23 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
DPP4 P27487 1/20 0.64

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
SCHEMBL30696687 1.00 PTPN1 (0.86) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL318230 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL318229 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL29336352 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL31233342 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL1122487 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL31233345 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL2532187 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL13625098 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B
Prunin SCHEMBL29560212 0.93 SLCO2B1 (1.00) PTPN1SLCO2B1KDM1ASYNJ2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-02 US disclosed
CN-119112963-A Compound Chinese medicinal powder and its preparation method 右江民族医学院 2024-12-13 CN disclosed
CN-118903290-A Traditional Chinese medicine composition and preparation method thereof 广西医科大学 2024-11-08 CN disclosed
EP-4147054-A1 HISTOCHEMICAL SYSTEMS AND METHODS FOR EVALUATING EGFR AND EGFR LIGAND EXPRESSION IN TUMOR SAMPLES Ventana Medical Systems, Inc. (US) 2023-03-15 EP disclosed
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-06 US disclosed
CN-114514235-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-17 CN disclosed
CN-114450282-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-06 CN disclosed
EP-3990649-A1 RANDOMIZED CONFIGURATION TARGETED INTEGRATION OF NUCLEIC ACIDS GENENTECH, INC. (US) 2022-05-04 EP disclosed
EP-3980544-A1 TARGETED INTEGRATION OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2022-04-13 EP 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-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 PTPN1 864/4885SLCO2B1 1640/4885KDM1A 1395/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 PTPN1 864/4885SLCO2B1 1640/4885KDM1A 1395/4885

“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.