SCHEMBL6564083

SCHEMBL6564083

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[S+]([O-])CC2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MITF O75030 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
SCHEMBL6564115 0.87 VCAM1 (0.56) VCAM1NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL6563426 0.84 VCAM1 (0.47) VCAM1NPBWR1MCHR1ALDH1A1CYP1A2
SCHEMBL6562303 0.83 KMT2A (0.50) VCAM1NPBWR1MCHR1ALDH1A1MEN1
SCHEMBL6565779 0.82 VCAM1 (0.45) VCAM1NPBWR1MCHR1ALDH1A1CYP1A2
SCHEMBL6565774 0.82 VCAM1 (0.45) VCAM1NPBWR1MCHR1ALDH1A1CYP1A2
SCHEMBL6564154 0.75 TGM2 (0.49) VCAM1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4607518 0.73 VCAM1 (0.54) VCAM1ALDH1A1SMN1; SMN2TDP1CA1
SCHEMBL6563979 0.72 VCAM1 (0.58) VCAM1NPBWR1MCHR1ALDH1A1CYP1A2
SCHEMBL6562836 0.72 VCAM1 (0.48) VCAM1NPBWR1MCHR1ALDH1A1CYP1A2
SCHEMBL6564150 0.72 NPBWR1 (0.47) VCAM1NPBWR1MCHR1ALDH1A1CYP1A2

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 3 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

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.