SCHEMBL24769405

SCHEMBL24769405

Cc1ccc(S(=O)(=O)NC2C(O)OC(CO)C(O)C2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HK2 P52789 3/20 0.46
HK1 P19367 2/20 0.46
CA1 P00915 14/20 0.45
CA2 P00918 14/20 0.45
CA9 Q16790 10/20 0.45
FFAR4 Q5NUL3 1/20 0.42
LGALS3 P17931 1/20 0.42

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
SCHEMBL30524947 1.00 HK2 (0.46) HK2HK1CA1CA2CA9
SCHEMBL25867392 0.85 CA2 (0.60) CA1CA2CA9LGALS3
SCHEMBL23705148 0.85 CA2 (0.60) CA1CA2CA9LGALS3
SCHEMBL18251464 0.81 CA1 (0.43) HK2HK1CA1CA2CA9
SCHEMBL24767825 0.81 CA1 (0.43) HK2HK1CA1CA2CA9
SCHEMBL21191298 0.81 CA1 (0.55) CA1CA2CA9
SCHEMBL17833049 0.79 CA1 (0.43) HK2HK1CA1CA2CA9
SCHEMBL19708450 0.79 CA1 (0.41) HK2HK1CA1CA2CA9
B-D-Galactose SCHEMBL28463978 0.77 CA1 (0.64) CA1CA2CA9
SCHEMBL23705267 0.75 CYP3A4 (0.44) CA1CA2FFAR4

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
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP disclosed