SCHEMBL4603369

SCHEMBL4603369

NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
VCAM1 P19320 7/20 0.57
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL2768289 0.84 TDP1 (0.60) TDP1VCAM1TSHRMAPK1CA1
SCHEMBL4607518 0.83 VCAM1 (0.54) TDP1VCAM1TSHRMAPK1CA1
SCHEMBL30827119 0.82 TDP1 (0.58) TDP1VCAM1TSHRMAPK1CA1
SCHEMBL2768048 0.82 TDP1 (0.58) TDP1VCAM1TSHRMAPK1CA1
Water SCHEMBL2771683 0.81 TDP1 (0.56) TDP1VCAM1TSHRMAPK1CA1
SCHEMBL1130962 0.79 VCAM1 (0.53) TDP1VCAM1MAPK1CA1CA2
SCHEMBL2768612 0.78 VCAM1 (0.60) TDP1VCAM1ALDH1A1
SCHEMBL6549653 0.78 VCAM1 (0.49) TDP1VCAM1TSHRMAPK1CA1
SCHEMBL6563979 0.76 VCAM1 (0.58) TDP1VCAM1MAPK1ALDH1A1NPBWR1
SCHEMBL4606395 0.75 VCAM1 (0.46) TDP1VCAM1MAPK1CA1CA2

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 31 patents — showing the first 20. 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-1261336-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-02-07 EP disclosed
EP-1265603-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-28 EP disclosed
EP-1274415-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-07 EP disclosed
EP-1263427-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-24 EP disclosed
EP-1261336-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 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
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
EP-1261336-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP 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
CN-1334726-A Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-02-06 CN disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2001068569-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
WO-2001068084-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
WO-2001068570-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
WO-2001068568-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 (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-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT TDP1 2290/4885VCAM1 3903/4885TSHR 4652/4885

“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.