SCHEMBL6565740

SCHEMBL6565740

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
BCL2 P10415 6/20 0.42
MCL1 Q07820 1/20 0.42
FOLH1 Q04609 2/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
TGM2 P21980 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
CTSK P43235 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
SCHEMBL7656153 0.86 MMP2 (0.43) ALDH1A1TSHRBCL2MCL1CA1
SCHEMBL6565711 0.86 ALDH1A1 (0.56) ALDH1A1TSHRFOLH1PPARGPPARA
SCHEMBL6564143 0.84 ALDH1A1 (0.47) ALDH1A1TSHRBCL2MCL1PPARG
SCHEMBL6564213 0.84 CXCR1 (0.42) ALDH1A1BCL2MCL1CA1CA2
SCHEMBL6563381 0.81 MAPK1 (0.43) ALDH1A1BCL2MCL1CA1CA2
SCHEMBL6563000 0.80 ALDH1A1 (0.54) ALDH1A1TSHRFOLH1SIRT5CTSK
SCHEMBL6563192 0.79 CXCR2 (0.51) ALDH1A1TSHRSIRT5
SCHEMBL6564159 0.78 ALDH1A1 (0.52) ALDH1A1TSHRFOLH1CA1CA2
SCHEMBL7498490 0.77 ALDH1A1 (0.49) ALDH1A1TSHRFOLH1TGM2CA1
SCHEMBL3726205 0.76 ALDH1A1 (0.89) ALDH1A1TSHRFOLH1PPARGPPARA

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-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
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-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-20030109527-A1 Hydroxy diphenyl urea sulfonamides as IL-8 receptor antagonists CXCL8, CCR8, IL18 ALDH1A1 1321/4885TSHR 1480/4885BCL2 982/4885

“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.