SCHEMBL2768612

SCHEMBL2768612

CN(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.60
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL2769454 0.84 VCAM1 (0.57) VCAM1TDP1ALDH1A1MEN1POLB
SCHEMBL2768289 0.80 TDP1 (0.60) VCAM1TDP1ALDH1A1
SCHEMBL30827119 0.78 TDP1 (0.58) VCAM1TDP1ALDH1A1
SCHEMBL4603369 0.78 TDP1 (0.58) VCAM1TDP1ALDH1A1
SCHEMBL2768048 0.78 TDP1 (0.58) VCAM1TDP1ALDH1A1
SCHEMBL6563310 0.78 VCAM1 (0.67) VCAM1TDP1ALDH1A1KDM4E
Water SCHEMBL2771683 0.77 TDP1 (0.56) VCAM1TDP1
SCHEMBL6215796 0.75 VCAM1 (1.00) VCAM1ALDH1A1MEN1POLBPKM
SCHEMBL6562355 0.75 NPSR1 (0.51) VCAM1TDP1ALDH1A1MEN1KMT2A
SCHEMBL30163866 0.74 VCAM1 (0.53) VCAM1TDP1ALDH1A1MEN1POLB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272175-B1 N,N'-DIARYL GUANIDINES AS IL-8 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-04-21 EP disclosed
EP-1272175-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP disclosed
EP-1261329-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 EP disclosed
US-6680317-B2 N-(PHENYL)-N*-(2-HYDROXY-3-AMINOSULFONYLPHENYL)GUANIDINE DERIVATIVES; CHEMOKINE INHIBITORS; RESPIRATORY, CARDIOVASCULAR, RHEUMATIC, BRAIN, AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-01-20 US disclosed
US-20030216375-A1 Il-8 receptor anatagonists GLAXOSMITHKLINE LLC 2003-11-20 US disclosed
US-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-06-12 US disclosed
US-20030050298-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-03-13 US disclosed
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP 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-1261329-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP 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-2001072960-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed
WO-2001068033-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO 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 (3 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-20030216375-A1 Il-8 receptor anatagonists CXCL8, CCR8, IL1R1 VCAM1 153/4885TDP1 3874/4885ALDH1A1 1275/4885
US-20030050298-A1 Il-8 receptor antagonists CXCL8, CCR8, IL1RN VCAM1 155/4885TDP1 4275/4885ALDH1A1 1536/4885
US-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists CXCL8, CCR8, IL18 VCAM1 702/4885TDP1 3864/4885ALDH1A1 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.