Sugi Predict

Sugi Predict / Compounds / SCHEMBL9977585

SCHEMBL9977585

SCHEMBL9977585

CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(C)c3C2=O)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 1.00
▸ PDE4C Q08493 19/20 1.00
▸ PDE4A P27815 13/20 1.00
▸ PDE4D Q08499 13/20 1.00
▸ HTR2B P41595 1/20 0.73

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
SCHEMBL3358462 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537071 0.93 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL29372989 0.93 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537805 0.93 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL3355989 0.92 PDE4B (0.98) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL9977589 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1194004 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL10309798 0.91 PDE4B (0.84) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537193 0.90 PDE4B (0.83) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL9977553 0.90 PDE4B (1.00) 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
WO-2022132603-A1 PDE4 DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-06-23 — — WO disclosed
WO-2012083153-A1 OLIGOMER-CONTAINING APREMILAST MOIETY COMPOUNDS NEKTAR THERAPEUTICS (US) 2012-06-21 — — WO disclosed