SCHEMBL4432052

SCHEMBL4432052

Cc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccccc2)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
POLB P06746 1/20 0.76
BDKRB1 P46663 9/20 0.75
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GFER P55789 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
PLEC Q15149 1/20 0.41

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
SCHEMBL4420739 0.88 BDKRB1 (0.68) ALDH1A1POLBBDKRB1GAAKMT2A
SCHEMBL4425413 0.88 BDKRB1 (0.68) ALDH1A1POLBBDKRB1GAAKMT2A
SCHEMBL4422565 0.87 BDKRB1 (0.67) ALDH1A1POLBBDKRB1GAAKDM4E
SCHEMBL6406112 0.87 BDKRB1 (0.67) ALDH1A1POLBBDKRB1GAAKDM4E
SCHEMBL4431101 0.87 BDKRB1 (0.67) ALDH1A1POLBBDKRB1GAAKDM4E
SCHEMBL6029674 0.86 ALDH1A1 (1.00) ALDH1A1POLBBDKRB1MAPTGAA
SCHEMBL6403536 0.86 ALDH1A1 (1.00) ALDH1A1POLBBDKRB1MAPTGAA
SCHEMBL6402615 0.86 BDKRB1 (1.00) ALDH1A1POLBBDKRB1MAPTGAA
SCHEMBL6698072 0.85 BDKRB1 (0.73) ALDH1A1POLBBDKRB1MAPTGAA
SCHEMBL6712062 0.85 BDKRB1 (0.67) ALDH1A1POLBBDKRB1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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 (3 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK ALDH1A1 3104/4885POLB 4615/4885BDKRB1 2/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 ALDH1A1 2364/4885POLB 4694/4885BDKRB1 2/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK ALDH1A1 2366/4885POLB 4583/4885BDKRB1 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.