SCHEMBL6401796

SCHEMBL6401796

NC[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.67
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 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
SCHEMBL5797997 0.91 BDKRB1 (0.65) BDKRB1ALDH1A1POLBGAA
SCHEMBL6403863 0.89 BDKRB1 (0.67) BDKRB1ALDH1A1POLBGAA
SCHEMBL5822672 0.89 BDKRB1 (0.67) BDKRB1ALDH1A1POLBGAA
SCHEMBL5801007 0.87 BDKRB1 (0.68) BDKRB1ALDH1A1POLBGAA
SCHEMBL645808 0.86 BDKRB1 (0.79) BDKRB1ALDH1A1POLB
SCHEMBL5797894 0.86 BDKRB1 (0.64) BDKRB1ALDH1A1POLB
SCHEMBL6402861 0.86 BDKRB1 (0.79) BDKRB1ALDH1A1POLB
SCHEMBL5797511 0.82 BDKRB1 (0.60) BDKRB1ALDH1A1POLB
SCHEMBL645871 0.82 BDKRB1 (0.73) BDKRB1ALDH1A1POLBGAA
SCHEMBL4425827 0.79 BDKRB1 (0.77) BDKRB1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171056-A1 Sodium ion absorption inhibitors, and preventive and therapeutic agents and foods containing the same OTSUKA PHARMACEUTICAL FACTORY, INC. 2005-08-04 US disclosed
US-6908921-B2 Quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. (US) 2005-06-21 US disclosed
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 US disclosed
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. 2004-07-08 US disclosed
US-20030027789-A1 Inhibitors against sodium ion absorption, and preventive or therapeutic agents and foods containing the same OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-02-06 US disclosed
EP-1249240-A1 INHIBITORS AGAINST SODIUM ION ABSORPTION, AND PREVENTIVE OR THERAPEUTIC AGENTS AND FOODS CONTAINING THE SAME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-10-16 EP 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 (4 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-20050171056-A1 Sodium ion absorption inhibitors, and preventive and therapeutic agents and foods containing the same NHERF1, SLC10A2, SLC10A1 BDKRB1 725/4885ALDH1A1 1201/4885POLB 4484/4885
US-20030027789-A1 Inhibitors against sodium ion absorption, and preventive or therapeutic agents and foods containing the same SLC10A1, SLC10A2, NHERF1 BDKRB1 807/4885ALDH1A1 1445/4885POLB 4464/4885
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885ALDH1A1 3743/4885POLB 2903/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885ALDH1A1 3321/4885POLB 2498/4885

“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.