SCHEMBL28828148

SCHEMBL28828148

COCc1csc([C@H](Cc2ccc(NO[SH](=O)=O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.75

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
SCHEMBL28828114 0.91 PTPRB (0.76) PTPRB
SCHEMBL28828099 0.90 PTPRB (0.76) PTPRB
SCHEMBL19775579 0.90 PTPRB (0.78) PTPRB
SCHEMBL680122 0.86 PTPRB (1.00) PTPRB
SCHEMBL680123 0.86 PTPRB (1.00) PTPRB
SCHEMBL28828105 0.85 PTPRB (0.76) PTPRB
SCHEMBL28828083 0.85 PTPRB (0.76) PTPRB
SCHEMBL28828122 0.85 PTPRB (0.76) PTPRB
SCHEMBL28828088 0.84 PTPRB (0.69) PTPRB
SCHEMBL28828100 0.84 PTPRB (0.62) PTPRB

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
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed