SCHEMBL4698274

SCHEMBL4698274

COc1cc([N+](=O)[O-])cc2c1NC(Nc1ccccc1Cl)=NS2(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.74
CXCR1 P25024 7/20 0.74
CYP2C9 P11712 1/20 0.74
SERPINE1 P05121 1/20 0.58
ADRA1D P25100 1/20 0.58
ADORA2A P29274 1/20 0.58
HTR7 P34969 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
MAPK14 Q16539 1/20 0.58
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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) CXCR2CXCR1CYP2C9
SCHEMBL29843937 0.85 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954935 0.85 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4649502 0.81 CXCR2 (0.69) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4696544 0.79 CXCR2 (0.48) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4686262 0.73 CXCR2 (0.75) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL18953369 0.73 CXCR2 (0.76) CXCR2CXCR1CYP2C9
SCHEMBL18953327 0.73 CXCR2 (0.67) CXCR2CXCR1CYP2C9
SCHEMBL5954354 0.73 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954897 0.73 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D

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.