SCHEMBL5058953

SCHEMBL5058953

CCCN(CCC)S(=O)(=O)c1ccc(C2=NC3CCC(O)CC3c3cc(OCC)c(OC)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.51
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.34
CA9 Q16790 3/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA12 O43570 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL5067984 0.96 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5058884 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL8324856 0.88 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5064548 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL6390285 0.83 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5479126 0.83 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5484482 0.82 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL2265927 0.82 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL6386266 0.81 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5058905 0.81 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1

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-20080161339-A1 Novel Thio-Containing Hydroxy-6-Phenylphenanthridines and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-07-03 US claimed
EP-1725533-A1 NOVEL THIO CONTAINING HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-29 EP claimed
WO-2005087744-A1 NOVEL THIO-CONTAINING HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO claimed
US-20080161339-A1 Novel Thio-Containing Hydroxy-6-Phenylphenanthridines and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-07-03 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-20080161339-A1 Novel Thio-Containing Hydroxy-6-Phenylphenanthridines and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 2/4885

“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.