SCHEMBL4187035

SCHEMBL4187035

CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCS(=O)(=O)C[C@H]21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.75
PDE4A P27815 1/20 0.75
PDE4B Q07343 1/20 0.75
PDE4C Q08493 1/20 0.75
THRB P10828 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ATM Q13315 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL2047426 0.90 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL2039690 0.88 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CMAPT
Pumafentrine SCHEMBL26718 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7204721 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
Pumafentrine SCHEMBL8344522 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
Pumafentrine SCHEMBL29651667 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
Pumafentrine SCHEMBL447418 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL5484482 0.85 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CL3MBTL1
Pumafentrine SCHEMBL5187632 0.85 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CMAPT
Hydrochloric Acid SCHEMBL8388627 0.85 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CMAPT

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 11 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
WO-2006027345-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES ALTANA PHARMA AG (DE) 2006-03-16 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 (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.