SCHEMBL4649502

SCHEMBL4649502

COc1cccc2c1NC(Nc1ccccc1Cl)=NS2(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.69
CXCR1 P25024 6/20 0.57
CYP2C9 P11712 1/20 0.52
SERPINE1 P05121 1/20 0.41
ADRA1D P25100 1/20 0.41
ADORA2A P29274 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK14 Q16539 1/20 0.41
NT5E P21589 1/20 0.41

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
SCHEMBL4648630 0.86 CXCR2 (0.71) CXCR2CXCR1CYP2C9NT5E
SCHEMBL5955084 0.82 CXCR2 (1.00) CXCR2CXCR1CYP2C9
SCHEMBL4698274 0.81 CXCR2 (0.74) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594097 0.79 CXCR2 (0.47) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594221 0.77 CXCR2 (0.52) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594566 0.77 CXCR2 (0.47) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594092 0.77 CXCR2 (0.54) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594637 0.76 CXCR2 (0.50) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594494 0.76 NT5E (0.53) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594230 0.76 CXCR2 (0.43) CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122173-A1 Il-8 receptor antagonists BUSCH-PETERSEN JAKOB 2006-06-08 US claimed
EP-1631559-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
US-20060122173-A1 Il-8 receptor antagonists BUSCH-PETERSEN JAKOB 2006-06-08 US disclosed
EP-1631559-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-08 EP disclosed
WO-2005000231-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 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-20060122173-A1 Il-8 receptor antagonists CXCL8, CCR8, IL1RN CXCR2 9/4885CXCR1 13/4885CYP2C9 1613/4885

“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.