SCHEMBL4606395

SCHEMBL4606395

CC(=O)Oc1c([N+](=O)[O-])ccc(Cl)c1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.46
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 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
SCHEMBL6549653 0.79 VCAM1 (0.49) VCAM1TDP1CA1CA2CA12
SCHEMBL4607518 0.75 VCAM1 (0.54) VCAM1TDP1CA1CA2CA12
SCHEMBL4603369 0.75 TDP1 (0.58) VCAM1TDP1CA1CA2CA12
SCHEMBL21291911 0.69 PARP1 (0.41) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL27568410 0.69 TDP1 (0.42) VCAM1TDP1ALDH1A1MAPTLMNA
SCHEMBL1130962 0.68 VCAM1 (0.53) VCAM1TDP1CA1CA2CA12
SCHEMBL1857266 0.68 MAPK1 (0.51) VCAM1TDP1CA1CA2F2
SCHEMBL6936039 0.68 TDP1 (0.43) TDP1ALDH1A1MAPTLMNAPOLB
SCHEMBL1865349 0.68 MAPT (0.61) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL15328371 0.68 ITGB1 (0.41) VCAM1TDP1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265603-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1265603-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-28 EP disclosed
US-6767922-B2 ADMINISTERING N-(3-AMINOSULFONYL-2-HYDROXYPHENYL)-UREA DERIVATIVES; TREATMENT OF RESPIRATORY AND NERVOUS SYSTEM DISORDERS; ARTHRITIS, ASTHMA; VIRICIDES SMITHKLINE BEECHAM CORPORATION 2004-07-27 US disclosed
CN-1424910-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-06-18 CN disclosed
US-20030065188-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
EP-1265603-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-18 EP disclosed
WO-2001068570-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 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-20030065188-A1 Il-8 receptor antagonists CXCL8, CCR8, IL1RN VCAM1 170/4885TDP1 4316/4885CA1 3382/4885

“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.