SCHEMBL4180299

SCHEMBL4180299

C/C=C/CN(CCN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.48
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4180302 1.00 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL7206772 0.87 TSHR (0.50) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL7206773 0.87 TSHR (0.50) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL4176914 0.84 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL4183508 0.82 KMT2A (0.53) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL4194071 0.78 PDE4D (0.58) PDE4DALDH1A1MAPTTSHRPOLB
SCHEMBL7205749 0.77 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL4190701 0.77 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL4187978 0.77 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL4177072 0.76 ALDH1A1 (0.68) PDE4DPDE4APDE4BPDE4CL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US claimed
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 PDE4D 2/4885PDE4A 3/4885PDE4B 5/4885

“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.