SCHEMBL6478411

SCHEMBL6478411

COc1ccc(C2=NN(C3CCN(C(=S)NCCCCNC(=O)O)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.64
PDE4B Q07343 14/20 0.61
PDE4A P27815 11/20 0.61
PDE4C Q08493 11/20 0.61
PDE7B Q9NP56 1/20 0.56
DNMT3A Q9Y6K1 1/20 0.55

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
SCHEMBL6489222 0.91 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6479903 0.85 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6531419 0.85 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL5553386 0.83 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6479899 0.81 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL7149898 0.80 PDE4D (0.75) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6286337 0.80 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL2887789 0.80 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6485199 0.79 PDE4D (0.71) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6485190 0.79 PDE4D (0.71) PDE4DPDE4BPDE4APDE4CPDE7B

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
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 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-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D PDE4D 19/4885PDE4B 11/4885PDE4A 10/4885

“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.