SCHEMBL25338458

SCHEMBL25338458

C=CCOC(=O)NS(=O)(=O)N(CC(=O)O)c1c(OCc2ccccc2)cc2c(c1F)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
KEAP1 Q14145 5/20 0.31
NFE2L2 Q16236 5/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ACHE P22303 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL29626439 0.95 RORC (0.33) RORCCA1CA2ACHEPDE4B
SCHEMBL25339147 0.85 CA1 (0.39) RORCKEAP1NFE2L2CA1CA2
SCHEMBL25340296 0.82 RORC (0.36) RORCKEAP1NFE2L2CA1CA2
SCHEMBL25339577 0.82 CYP2C9 (0.32) RORCPDE4B
SCHEMBL25339103 0.81 ACACB (0.33) RORCKEAP1NFE2L2CA1CA2
SCHEMBL25337797 0.81 RORC (0.34) RORCKEAP1NFE2L2CA1
SCHEMBL29626395 0.81 CA1 (0.38) RORCCA1CA2ACHEPDE4B
SCHEMBL25339196 0.81 RORC (0.35) RORCKEAP1NFE2L2
SCHEMBL25241594 0.81 RORC (0.36) RORCKEAP1NFE2L2CA1CA2
SCHEMBL22412394 0.79 CA1 (0.43) KEAP1NFE2L2CA1CA2ACHE

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-4211122-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2023-07-19 EP disclosed