SCHEMBL3791128

SCHEMBL3791128

Cc1cc(C)c(S(=O)(=O)N2c3cc(Cl)c(Cl)cc3NC(=O)[C@H]2CC(=O)NCc2ccccc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.55
EPHX2 P34913 5/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EBP Q15125 1/20 0.42
DHCR7 Q9UBM7 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4429512 0.92 BDKRB1 (0.58) BDKRB1EPHX2ALDH1A1POLBKDM4E
SCHEMBL4422565 0.90 BDKRB1 (0.67) BDKRB1EPHX2ALDH1A1POLBKDM4E
SCHEMBL4431101 0.90 BDKRB1 (0.67) BDKRB1EPHX2ALDH1A1POLBKDM4E
SCHEMBL6406112 0.90 BDKRB1 (0.67) BDKRB1EPHX2ALDH1A1POLBKDM4E
SCHEMBL4419841 0.87 BDKRB1 (0.48) BDKRB1ALDH1A1POLBKDM4EGAA
SCHEMBL4423479 0.82 ALDH1A1 (0.52) BDKRB1EPHX2ALDH1A1POLBKDM4E
SCHEMBL4423098 0.81 BDKRB1 (0.57) BDKRB1ALDH1A1POLB
SCHEMBL6030571 0.81 BDKRB1 (0.57) BDKRB1ALDH1A1POLB
SCHEMBL4420046 0.81 BDKRB1 (0.57) BDKRB1ALDH1A1POLB
SCHEMBL4431800 0.80 BDKRB1 (0.54) BDKRB1ALDH1A1POLBKDM4EGAA

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 9 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
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
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 BDKRB1 2/4885EPHX2 1553/4885ALDH1A1 3104/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 BDKRB1 2/4885EPHX2 1076/4885ALDH1A1 2364/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK BDKRB1 2/4885EPHX2 1225/4885ALDH1A1 2366/4885

“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.