SCHEMBL6550852

SCHEMBL6550852

CNS(=O)(=O)c1c(Cl)ccc(N(C(N)=O)c2ccccc2Br)c1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.41
CXCR1 P25024 7/20 0.41
CX3CR1 P49238 1/20 0.32
ESR1 P03372 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL27608152 0.87 CXCR2 (0.51) CXCR2CXCR1CX3CR1ESR1CA12
SCHEMBL7500207 0.83 MAPT (0.44) CXCR2CXCR1
SCHEMBL7500837 0.82 LMNA (0.37) CXCR2CXCR1CA1CA2
SCHEMBL7664526 0.81 CXCR2 (0.39) CXCR2CXCR1CA12CA1CA2
SCHEMBL27571760 0.80 CXCR2 (0.45) CXCR2CXCR1
SCHEMBL7666870 0.79 CXCR1 (0.39) CXCR2CXCR1ESR1
SCHEMBL27587734 0.79 CXCR2 (0.45) CXCR2CXCR1CX3CR1ESR1
SCHEMBL7542421 0.78 CXCR2 (0.39) CXCR2CXCR1
SCHEMBL7688982 0.78 PKM (0.42) CXCR2CXCR1
SCHEMBL7112805 0.77 ESR1 (0.36) CXCR2CXCR1CX3CR1ESR1

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 8 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-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 (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 CXCR2 2343/4885CXCR1 3658/4885CX3CR1 3931/4885

“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.