SCHEMBL5859836

SCHEMBL5859836

COc1ccc(C2CN(C(=O)CO)CC2(C)[C@@H](C)O)cc1OCCC(C)(C)OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.51
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
PDE7A Q13946 1/20 0.37
RORC P51449 1/20 0.33
ALK Q9UM73 1/20 0.33
TLR4 O00206 1/20 0.33

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
SCHEMBL4534851 1.00 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5350457 1.00 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5361364 0.93 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5362702 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL4526529 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5362696 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL5349264 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14576302 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5360357 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355529 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US claimed
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION 2004-02-05 US claimed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 US claimed
US-6998416-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-02-14 US disclosed
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US disclosed
US-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.