SCHEMBL6563582

SCHEMBL6563582

COCCN(CCOC)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.65
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CCR6 P51684 1/20 0.35

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
SCHEMBL6563310 0.88 VCAM1 (0.67) VCAM1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL6565944 0.80 VCAM1 (0.47) VCAM1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6565721 0.80 VCAM1 (0.46) VCAM1ALDH1A1LMNATDP1F2
SCHEMBL2769454 0.79 VCAM1 (0.57) VCAM1ALDH1A1KDM4ELMNAHTT
SCHEMBL6563731 0.78 CXCR2 (0.53) VCAM1ALDH1A1MAPTKDM4ELMNA
SCHEMBL7508499 0.76 CXCR2 (0.51) VCAM1ALDH1A1MAPTKDM4E
Phenol SCHEMBL6565965 0.73 CXCR2 (0.55) VCAM1ALDH1A1MAPTKDM4ELMNA
SCHEMBL4607518 0.71 VCAM1 (0.54) VCAM1ALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL6563367 0.71 ALDH1A1 (0.49) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL6565613 0.71 ALDH1A1 (0.45) VCAM1ALDH1A1MAPTKDM4ELMNA

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 VCAM1 702/4885ALDH1A1 1321/4885MAPT 3345/4885

“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.