SCHEMBL6563969

SCHEMBL6563969

COC[C@@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.46
CASP7 P55210 15/20 0.46
CASP9 P55211 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CASP1 P29466 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
SCHEMBL6564147 0.89 CASP3 (0.45) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL6139039 0.83 CASP3 (0.35) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL2768975 0.83 CASP3 (0.35) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL2769590 0.83 CASP3 (0.35) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL6564173 0.80 CASP3 (0.46) CASP3ALDH1A1KMT2A
SCHEMBL8485172 0.77 CASP3 (0.56) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL6563959 0.77 CASP3 (0.45) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL6137742 0.76 VCAM1 (0.36) CASP3CASP7CASP9ALDH1A1KMT2A
SCHEMBL2768514 0.76 VCAM1 (0.36) CASP3CASP7CASP9ALDH1A1KMT2A
SCHEMBL2768872 0.76 VCAM1 (0.36) CASP3CASP7CASP9ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 EP disclosed
US-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-06-12 US disclosed
US-6500863-B1 INTERLEUKIN BINDING INHIBITORS SUCH AS N-(2-HYDROXYL-3-AMINO SULFONYL-4-CHLOROPHENYL)-N'-(2-BROMOPHENYL)UREA, USED FOR PROPHYLAXIS OF CHEMOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2002-12-31 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 (1 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-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists CXCL8, CCR8, IL18 CASP3 1780/4885CASP7 1342/4885CASP9 1057/4885

“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.