SCHEMBL2876141

SCHEMBL2876141

CCN(CC)C(C)OC(=O)C1CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.69
PDE4A P27815 19/20 0.69
PDE4C Q08493 19/20 0.69
PDE4D Q08499 19/20 0.69

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
SCHEMBL7123232 0.85 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546406 0.85 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546049 0.85 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546052 0.85 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL30295117 0.85 PDE4B (0.70) PDE4BPDE4APDE4CPDE4D
SCHEMBL6635890 0.84 PDE4B (0.81) PDE4BPDE4APDE4CPDE4D
SCHEMBL433298 0.83 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL29351482 0.83 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545916 0.83 PDE4B (0.86) PDE4BPDE4APDE4CPDE4D
SCHEMBL6545912 0.83 PDE4B (0.86) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010513276-A 2010-04-30 JP claimed
US-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction GILEAD SCIENCES, INC. 2010-04-22 US claimed
EP-2125841-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND BETA-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION Gilead Sciences, Inc. (US) 2009-12-02 EP claimed
WO-2008076265-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND β-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION GILEAD SCIENCES, INC. (US) 2008-06-26 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20100098641-A1 Monophosphates as Mutual Prodrugs of Anti-Inflammatory Signal Transduction Modulators (AISTM's) and Beta-Agonists for the Treatment of Pulmonary Inflammation and Bronchoconstriction ADRB1, ADRB2, PDE11A PDE4B 13/4885PDE4A 10/4885PDE4C 28/4885

“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.