SCHEMBL4006483

SCHEMBL4006483

COc1ccc(C=NCc2ccc(N=Cc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.62
PTGS2 P35354 2/20 0.55
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
PTGS1 P23219 1/20 0.55
ERN1 O75460 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 1/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
APAF1 O14727 1/20 0.45
HPGD P15428 1/20 0.45
ACHE P22303 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL4006482 1.00 S100B (0.62) S100BPTGS2CA12CA2CA9
SCHEMBL562215 0.90 CA2 (0.52) S100BCA12CA2CA9ERN1
SCHEMBL562216 0.90 CA2 (0.52) S100BCA12CA2CA9ERN1
SCHEMBL2503401 0.85 S100B (0.68) S100BPTGS2CA12CA2CA9
SCHEMBL2453050 0.85 S100B (0.68) S100BPTGS2CA12CA2CA9
SCHEMBL10412841 0.85 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL10733285 0.85 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL12416630 0.85 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL10733277 0.85 S100B (0.82) S100BPTGS2CA12CA2CA9
SCHEMBL2010515 0.85 S100B (0.82) S100BPTGS2CA12CA2CA9

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-7563888-B2 Process for the preparation of diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-21 US disclosed
US-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US disclosed
EP-1753717-A1 METHOD FOR PRODUCING DIPHENYL AZETIDINONE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005113495-A1 METHOD FOR PRODUCING DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 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 (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-20070149501-A1 PROCESS FOR THE PREPARATION OF DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, APOB, DHCR7 S100B 4500/4885PTGS2 1617/4885CA12 3887/4885

“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.