SCHEMBL2376012

SCHEMBL2376012

Cc1cccc(S(=O)(=O)N2CCC(N3N=C(c4ccc(OC(F)F)c(OCC5CC5)c4)C(C)(C)C3=O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.62
PDE4A P27815 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE4C Q08493 1/20 0.42
ITGA4 P13612 1/20 0.39

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
SCHEMBL2321752 0.85 PDE4B (0.57) PDE4BPDE4APDE4DPDE4C
SCHEMBL2324878 0.83 PDE4B (0.56) PDE4BPDE4APDE4DPDE4C
SCHEMBL2327036 0.81 PDE4B (0.53) PDE4BPDE4APDE4DPDE4C
SCHEMBL2324312 0.80 PDE4B (0.69) PDE4BPDE4APDE4DPDE4C
Hydrochloric Acid SCHEMBL184546 0.80 PDE4B (0.68) PDE4BPDE4APDE4DPDE4C
SCHEMBL2328268 0.79 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL184690 0.79 PDE4B (0.81) PDE4BPDE4D
SCHEMBL184833 0.77 PDE4B (1.00) PDE4BPDE4D
SCHEMBL2324578 0.76 PDE4B (0.71) PDE4BPDE4D
SCHEMBL2328743 0.76 PDE4B (0.61) PDE4BPDE4APDE4DPDE4C

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 5 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

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 1/4885PDE4D 8/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE4A 1/4885PDE4D 8/4885

“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.