SCHEMBL6842363

SCHEMBL6842363

CCOc1cc(C2=NN(Cc3ccc(NC(=O)OCCCCCCN(C)C)cc3)C(=O)SC2CC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.46
PDE4A P27815 12/20 0.46
PDE4B Q07343 12/20 0.46
PDE4C Q08493 12/20 0.46
MET P08581 6/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
QPCT Q16769 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
SCHEMBL6842157 0.96 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6844014 0.91 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6842429 0.89 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798643 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6842919 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6837186 0.88 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7792850 0.88 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6841893 0.87 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6842264 0.87 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6841769 0.86 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 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 (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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4D 12/4885PDE4A 1/4885PDE4B 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.