SCHEMBL28828147

SCHEMBL28828147

CCc1csc([C@H](Cc2ccc(NO[SH](=O)=O)cc2)NC(=O)[C@@H](Cc2ccccc2)c2cccc(OC)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 19/20 0.57
PTPN1 P18031 1/20 0.47

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
SCHEMBL28828143 0.90 PTPRB (0.54) PTPRBPTPN1
SCHEMBL29794267 0.87 PTPRB (0.75) PTPRBPTPN1
SCHEMBL28950146 0.87 PTPRB (0.75) PTPRBPTPN1
SCHEMBL500551 0.87 PTPRB (0.75) PTPRBPTPN1
SCHEMBL500550 0.87 PTPRB (0.75) PTPRBPTPN1
Methane SCHEMBL20021690 0.87 PTPRB (0.74) PTPRBPTPN1
SCHEMBL27838879 0.84 PTPRB (0.57) PTPRB
SCHEMBL27838878 0.84 PTPRB (0.57) PTPRB
SCHEMBL27976580 0.84 PTPRB (0.57) PTPRB
SCHEMBL28828071 0.81 PTPRB (0.51) PTPRBPTPN1

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