SCHEMBL23926412

SCHEMBL23926412

CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cc(F)cc([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.65
PDE4C Q08493 17/20 0.65
PDE4A P27815 11/20 0.65
PDE4D Q08499 11/20 0.65
HTR2B P41595 1/20 0.57
TNF P01375 1/20 0.49

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
SCHEMBL28811594 1.00 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL29860675 1.00 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL23499804 0.90 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL23499797 0.90 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL31063328 0.90 PDE4B (0.65) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15198844 0.88 PDE4B (0.78) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL29651471 0.88 PDE4B (0.78) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1193538 0.88 PDE4B (0.78) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL21750008 0.88 PDE4B (0.76) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL21750009 0.88 PDE4B (0.76) PDE4BPDE4CPDE4APDE4DHTR2B

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
CN-110291065-B Novel isoindoline derivative, pharmaceutical composition and application thereof 康朴生物医药技术(上海)有限公司 2022-08-19 CN disclosed
EP-3590924-B1 NOVEL ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-27 EP disclosed