SCHEMBL4172976

SCHEMBL4172976

COc1ccc(S(=O)(=O)NC2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69
GPBAR1 Q8TDU6 1/20 0.61
ALDH1A1 P00352 3/20 0.57
EPHX2 P34913 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.54
CYP19A1 P11511 1/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL4180103 0.97 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL4194160 0.93 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL4172989 0.93 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL4180198 0.93 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL7204094 0.81 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4003895 0.81 EPHX2 (0.79) ALDH1A1EPHX2SMN1; SMN2GAAPOLB
SCHEMBL4003902 0.81 EPHX2 (0.79) ALDH1A1EPHX2SMN1; SMN2GAAPOLB
SCHEMBL4608783 0.79 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13908402 0.78 POLB (0.49) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL23052377 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1

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-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A PDE4A 3/4885PDE4B 5/4885PDE4C 8/4885

“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.