SCHEMBL6563426

SCHEMBL6563426

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCSCC2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
CXCR2 P25025 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
APOBEC3A P31941 1/20 0.37
CASP6 P55212 1/20 0.37
MCL1 Q07820 1/20 0.37
APOBEC3G Q9HC16 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
SCHEMBL6564115 0.89 VCAM1 (0.56) VCAM1NPBWR1MCHR1MAPTSMN1; SMN2
SCHEMBL6562836 0.88 VCAM1 (0.48) VCAM1NPBWR1MCHR1MAPTTHRB
SCHEMBL6562303 0.85 KMT2A (0.50) VCAM1NPBWR1MCHR1MAPTTHRB
SCHEMBL6564083 0.84 VCAM1 (0.45) VCAM1NPBWR1MCHR1MAPTSMN1; SMN2
SCHEMBL6565779 0.84 VCAM1 (0.45) VCAM1NPBWR1MCHR1MAPTSMN1; SMN2
SCHEMBL6565774 0.84 VCAM1 (0.45) VCAM1NPBWR1MCHR1MAPTSMN1; SMN2
SCHEMBL6564215 0.77 CXCR2 (0.44) SMN1; SMN2LMNACXCR2L3MBTL1
SCHEMBL6564154 0.77 TGM2 (0.49) VCAM1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL4607518 0.75 VCAM1 (0.54) VCAM1SMN1; SMN2CXCR2ALDH1A1TDP1
SCHEMBL6563979 0.74 VCAM1 (0.58) VCAM1NPBWR1MCHR1MAPTSMN1; SMN2

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 702/4885NPBWR1 332/4885MCHR1 1117/4885

“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.