SCHEMBL28828100

SCHEMBL28828100

CCOC(=O)Nc1csc([C@H](Cc2ccc(NO[SH](=O)=O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC)n1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.62

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
SCHEMBL20787854 0.87 PTPRB (0.60) PTPRB
SCHEMBL679791 0.87 PTPRB (0.79) PTPRB
SCHEMBL3724102 0.87 PTPRB (0.79) PTPRB
SCHEMBL679790 0.87 PTPRB (0.79) PTPRB
SCHEMBL20787853 0.86 PTPRB (0.59) PTPRB
SCHEMBL28828114 0.85 PTPRB (0.76) PTPRB
SCHEMBL28828148 0.84 PTPRB (0.75) PTPRB
SCHEMBL28828099 0.83 PTPRB (0.76) PTPRB
SCHEMBL28828083 0.82 PTPRB (0.76) PTPRB
SCHEMBL28828059 0.82 PTPRB (0.75) 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