SCHEMBL6565841

SCHEMBL6565841

CCOCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CXCR2 P25025 1/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL6563731 0.88 CXCR2 (0.53) VCAM1LMNASMN1; SMN2CXCR2ALDH1A1
SCHEMBL6562076 0.88 VCAM1 (0.45) VCAM1LMNASMN1; SMN2THRBALDH1A1
SCHEMBL6564230 0.87 VCAM1 (0.48) VCAM1LMNACXCR2THRBALDH1A1
SCHEMBL6564043 0.85 CXCR2 (0.41) VCAM1LMNACXCR2THRBALDH1A1
SCHEMBL6565699 0.84 VCAM1 (0.45) VCAM1LMNASMN1; SMN2CXCR2ALDH1A1
SCHEMBL6564278 0.84 VCAM1 (0.60) VCAM1THRBALDH1A1MAPTMAPK1
Phenol SCHEMBL6565965 0.82 CXCR2 (0.55) VCAM1LMNASMN1; SMN2CXCR2ALDH1A1
SCHEMBL6563367 0.81 ALDH1A1 (0.49) VCAM1LMNAALDH1A1MAPTMAPK1
SCHEMBL7547029 0.81 CXCR2 (0.49) CXCR2L3MBTL1
SCHEMBL6563454 0.81 CXCR2 (0.44) LMNASMN1; SMN2CXCR2ALDH1A1MAPT

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 702/4885LMNA 4741/4885SMN1; SMN2 4398/4885

“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.