SCHEMBL23488654

SCHEMBL23488654

COc1cc(C(=O)N[C@H]2[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]2O)cc(Cl)c1OCc1cnc(OC)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
CA1 P00915 4/20 0.45
LGALS3 P17931 2/20 0.38
LGALS9 O00182 1/20 0.38
LGALS8 O00214 1/20 0.38
LGALS7; LGALS7B P47929 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
HK1 P19367 1/20 0.35
HK2 P52789 1/20 0.35

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
SCHEMBL23488534 0.87 CA2 (0.50) CA2CA9CA1LGALS3LGALS8
SCHEMBL23488172 0.86 CA2 (0.42) CA2CA9CA1LGALS3LGALS9
SCHEMBL23488515 0.86 CA2 (0.42) CA2CA9CA1LGALS3LGALS9
SCHEMBL23488542 0.85 LGALS3 (0.38) LGALS3LGALS9LGALS8LGALS7; LGALS7BSCN5A
SCHEMBL23488709 0.83 LGALS8 (0.44) LGALS3LGALS9LGALS8LGALS7; LGALS7BSCN5A
SCHEMBL23488447 0.81 XDH (0.44)
SCHEMBL23488288 0.81 XDH (0.44)
SCHEMBL23488573 0.81 CA2 (0.49) CA2CA9CA1LGALS3MEN1
SCHEMBL23488670 0.81 CA2 (0.54) CA2CA9CA1LGALS3LGALS8
SCHEMBL23488332 0.81 CA2 (0.54) CA2CA9CA1LGALS3LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 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 (1 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 CA2 1099/4885CA9 906/4885CA1 2052/4885

“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.