SCHEMBL6562344

SCHEMBL6562344

CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
DRD2 P14416 1/20 0.39
MAPK1 P28482 1/20 0.38
BCL2 P10415 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL6564237 0.94 MAPK1 (0.43) CA1CA2CA12CA9CXCR1
SCHEMBL6564213 0.91 CXCR1 (0.42) CA1CA2CA12CA9STK17B
SCHEMBL6563381 0.84 MAPK1 (0.43) CA1CA2CA12CA9CXCR1
SCHEMBL6564143 0.82 ALDH1A1 (0.47) CA1CA2ALDH1A1THRBBCL2
SCHEMBL25353231 0.80 NPY5R (0.56) CA1CA2CA12CA9BRD4
SCHEMBL7213015 0.78 ALDH1A1 (0.46) CA1CA2CA12CA9STK17B
SCHEMBL29658822 0.78 VCAM1 (0.58) ALDH1A1THRBMAPK1BCL2HSP90AA1
SCHEMBL6563429 0.78 CXCR1 (0.45) CA1CA2CA12CA9STK17B
SCHEMBL10578981 0.78 VCAM1 (0.58) ALDH1A1THRBMAPK1BCL2HSP90AA1
SCHEMBL7898674 0.78 NPY5R (0.59) CA1CA2CA12CA9BRD4

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
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
EP-1161232-A4 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-18 EP disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2000035442-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO 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 CA1 4428/4885CA2 4080/4885CA12 4102/4885

“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.