SCHEMBL22787115

SCHEMBL22787115

CC(C)C[C@H](NC(=O)C(C)NC(=O)c1cnccn1)B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 15/20 1.00
PSMB5 P28074 13/20 1.00
PSMB11 A5LHX3 9/20 1.00
PSMA7 O14818 9/20 1.00
PSMB1 P20618 9/20 1.00
PSMA1 P25786 9/20 1.00
PSMA2 P25787 9/20 1.00
PSMA3 P25788 9/20 1.00
PSMA4 P25789 9/20 1.00
PSMB8 P28062 9/20 1.00
PSMB9 P28065 9/20 1.00
PSMA5 P28066 9/20 1.00
PSMB4 P28070 9/20 1.00
PSMB6 P28072 9/20 1.00
PSMB10 P40306 9/20 1.00
PSMB3 P49720 9/20 1.00
PSMB2 P49721 9/20 1.00
PSMA6 P60900 9/20 1.00
PSMA8 Q8TAA3 9/20 1.00
PSMB7 Q99436 9/20 1.00

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
SCHEMBL21210367 1.00 LONP1 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL15699269 1.00 LONP1 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3165922 0.88 LONP1 (0.87) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL9608343 0.88 LONP1 (0.85) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL25267933 0.85 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL25267934 0.85 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL25221893 0.85 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL30406001 0.85 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL15699267 0.82 LONP1 (0.79) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL10344951 0.82 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220641-A2 METHODS AND USES RELATED TO T CELL THERAPY AND PRODUCTION OF SAME JUNO THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2020249527-A1 COMBINATION THERAPY COMPRISING AN ANTI-CD25 ANTIBODY DRUG CONJUGATE AND A FURTHER AGENT ADC THERAPEUTICS SA (CH) 2020-12-17 WO disclosed