SCHEMBL6549653

SCHEMBL6549653

CC(=O)c1c([N+](=O)[O-])ccc(Cl)c1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.49
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6550610 0.83 VCAM1 (0.54) VCAM1TDP1ALDH1A1F2PRSS1
SCHEMBL4606395 0.79 VCAM1 (0.46) VCAM1TDP1ALDH1A1F2PRSS1
SCHEMBL4607518 0.78 VCAM1 (0.54) VCAM1TDP1ALDH1A1F2PRSS1
SCHEMBL4603369 0.78 TDP1 (0.58) VCAM1TDP1ALDH1A1F2PRSS1
SCHEMBL2450842 0.78 TDP1 (0.58) VCAM1TDP1ALDH1A1F2KMT2A
SCHEMBL6562243 0.76 VCAM1 (0.41) VCAM1ALDH1A1KMT2AATMCA1
SCHEMBL6562309 0.76 ALDH1A1 (0.43) VCAM1TDP1ALDH1A1F2PRSS1
SCHEMBL6563444 0.75 VCAM1 (0.59) VCAM1ALDH1A1KMT2AATMCA12
SCHEMBL5725938 0.74 TDP1 (0.58) VCAM1TDP1ALDH1A1F2KMT2A
SCHEMBL3503761 0.71 TDP1 (0.53) TDP1ALDH1A1KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110954-A1 Methods of synthesizing phenol-contining compounds SMITHKLINE BEECHAM CORPORATION 2004-06-10 US disclosed
EP-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 EP disclosed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 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
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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 (2 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-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT VCAM1 3903/4885TDP1 2290/4885ALDH1A1 466/4885
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.