Sugi Predict

Sugi Predict / Compounds / SCHEMBL4422980

SCHEMBL4422980

SCHEMBL4422980

COc1cc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCCc2ccncc2)c(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 14/20 0.58
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ ALOX15 P16050 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
SCHEMBL4432213 0.89 BDKRB1 (0.57) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4420616 0.88 BDKRB1 (0.57) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4418605 0.86 BDKRB1 (0.52) BDKRB1ALDH1A1POLBMAPTKDM4E
SCHEMBL4418562 0.86 BDKRB1 (0.53) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4420732 0.86 BDKRB1 (0.53) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4427038 0.84 BDKRB1 (0.53) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4428966 0.84 BDKRB1 (0.56) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4419774 0.84 BDKRB1 (0.52) BDKRB1ALDH1A1POLBHSD17B10HPGD
SCHEMBL4428592 0.83 BDKRB1 (0.58) BDKRB1ALDH1A1POLB
SCHEMBL4420787 0.81 BDKRB1 (0.63) BDKRB1ALDH1A1POLBKDM4E

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 7 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-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 (2 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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 BDKRB1 2/4885ALDH1A1 2364/4885POLB 4694/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK BDKRB1 2/4885ALDH1A1 2366/4885POLB 4583/4885

“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.