SCHEMBL4187567

SCHEMBL4187567

CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CC[S+]([O-])C[C@H]21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.71
PDE4A P27815 2/20 0.71
PDE4B Q07343 1/20 0.71
PDE4C Q08493 1/20 0.71
SRD5A2 P31213 3/20 0.34
KMT2A Q03164 2/20 0.33
LTB4R Q15722 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
CHRM1 P11229 1/20 0.31
PDE3A Q14432 1/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
REN P00797 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL2046669 0.90 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2043102 0.90 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL13721383 0.90 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2043775 0.89 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL13721005 0.89 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL13721007 0.89 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL4187035 0.85 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL16290197 0.85 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL15809933 0.85 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL5484482 0.85 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2009-09-24 US disclosed
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2009-09-24 US disclosed
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2009-09-24 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 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-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives PDE4A, PDE4B, PDE3A PDE4D 7/4885PDE4A 1/4885PDE4B 2/4885
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives PDE4A, PDE4B, PDE3A PDE4D 7/4885PDE4A 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.