SCHEMBL3127722

SCHEMBL3127722

COc1ccc(C(CC(=O)O)N2C(=O)c3cccc(C)c3C2=O)cc1OC1CCCC1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.83
PDE4B Q07343 12/20 0.83
PDE4C Q08493 12/20 0.83
PDE4D Q08499 12/20 0.83
TNF P01375 9/20 0.63

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
SCHEMBL4848579 0.91 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637167 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4847439 0.91 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637688 0.90 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4850888 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3127985 0.88 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4925142 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3131798 0.88 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL537107 0.88 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4926271 0.87 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1510518-B1 Substituted 1,3,4-oxadiazoles for use in the treatement or prophylaxis of diseases CELGENE CORP (US) 2010-12-01 EP disclosed
EP-1462449-B9 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORP (US) 2010-03-10 EP disclosed
EP-1462449-B1 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORP (US) 2009-09-02 EP disclosed
US-7091356-B2 Substituted alkanohydroxamic acids and method of reducing TNFα levels CELGENE CORPORATION 2006-08-15 US disclosed
EP-1510518-A2 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORPORATION (US) 2005-03-02 EP disclosed
EP-1242413-B1 SUBSTITUTED 1,3,4-OXADIAZOLES AND A METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2004-11-17 EP disclosed
EP-1462449-A1 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORPORATION (US) 2004-09-29 EP disclosed
US-20040006096-A1 Substituted alkanohydroxamic acids and method of reducing TNFalpha levels CELGENE CORPORATION 2004-01-08 US disclosed
EP-1242413-A4 SUBSTITUTED 1,3,4-OXADIAZOLES AND A METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2003-04-23 EP disclosed
EP-1242413-A1 SUBSTITUTED 1,3,4-OXADIAZOLES AND A METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 2002-09-25 EP disclosed
US-6326388-B1 ANTIINFLAMMATORY AGENTS CELGENE CORPORATION 2001-12-04 US disclosed
WO-2001046183-A1 SUBSTITUTED 1,3,4-OXADIAZOLES AND A METHOD OF REDUCING TNF-α LEVELS CELGENE CORPORATION (US) 2001-06-28 WO 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 (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-20040006096-A1 Substituted alkanohydroxamic acids and method of reducing TNFalpha levels TNF, TNFRSF1A, LTA PDE4A 10/4885PDE4B 54/4885PDE4C 37/4885

“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.