SCHEMBL2331253

SCHEMBL2331253

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.44
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2359632 0.91 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL2324635 0.89 SMN1; SMN2 (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL17022872 0.86 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2328060 0.85 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL2321160 0.85 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2327035 0.84 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2331563 0.83 PKM (0.46) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2321396 0.83 MAPK1 (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2324878 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL2328268 0.80 PDE4B (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 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 (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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE4A 1/4885PDE4C 9/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE4A 1/4885PDE4C 9/4885

“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.