SCHEMBL4432768

SCHEMBL4432768

O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
BDKRB1 P46663 17/20 0.54
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13598893 1.00 ALDH1A1 (0.54) ALDH1A1POLBBDKRB1RORCKDM4E
SCHEMBL4422255 0.86 BDKRB1 (0.61) ALDH1A1POLBBDKRB1
SCHEMBL4424964 0.83 ALDH1A1 (0.76) ALDH1A1POLBBDKRB1KDM4EGAA
SCHEMBL4425827 0.83 BDKRB1 (0.77) ALDH1A1POLBBDKRB1
SCHEMBL4427037 0.83 BDKRB1 (0.61) ALDH1A1POLBBDKRB1
SCHEMBL4425836 0.81 ALDH1A1 (0.52) ALDH1A1POLBBDKRB1KDM4EGAA
SCHEMBL6406112 0.80 BDKRB1 (0.67) ALDH1A1POLBBDKRB1KDM4EGAA
SCHEMBL4431101 0.80 BDKRB1 (0.67) ALDH1A1POLBBDKRB1KDM4EGAA
SCHEMBL4423098 0.80 BDKRB1 (0.57) ALDH1A1POLBBDKRB1
SCHEMBL4422565 0.80 BDKRB1 (0.67) ALDH1A1POLBBDKRB1KDM4EGAA

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.