SCHEMBL6564043

SCHEMBL6564043

CC(C)OCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.41
VCAM1 P19320 5/20 0.40
ALDH1A1 P00352 7/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL6564197 0.88 VCAM1 (0.41) VCAM1ALDH1A1MAPTPKMMAPK1
SCHEMBL6563731 0.87 CXCR2 (0.53) CXCR2VCAM1ALDH1A1MAPTPKM
SCHEMBL6565841 0.85 VCAM1 (0.43) CXCR2VCAM1ALDH1A1MAPTPKM
SCHEMBL6564230 0.83 VCAM1 (0.48) CXCR2VCAM1ALDH1A1MAPTPKM
Phenol SCHEMBL6565965 0.81 CXCR2 (0.55) CXCR2VCAM1ALDH1A1MAPTPKM
SCHEMBL6563387 0.81 CXCR2 (0.43) CXCR2ALDH1A1MAPTMAPK1MEN1
SCHEMBL6564278 0.80 VCAM1 (0.60) VCAM1ALDH1A1MAPTPKMMAPK1
SCHEMBL6563367 0.80 ALDH1A1 (0.49) VCAM1ALDH1A1MAPTPKMMAPK1
SCHEMBL6565699 0.79 VCAM1 (0.45) CXCR2VCAM1ALDH1A1MAPTPKM
SCHEMBL27571698 0.79 ALDH1A1 (0.43) VCAM1ALDH1A1MAPTPKMMAPK1

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
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
CN-1334726-A Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-02-06 CN 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 CXCR2 26/4885VCAM1 702/4885ALDH1A1 1321/4885

“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.