SCHEMBL6931039

SCHEMBL6931039

CCP(=O)(O)ON(Nc1ccc(C#N)cc1OC)c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.38
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PYGL P06737 1/20 0.34
AR P10275 1/20 0.33
IDH1 O75874 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTGER1 P34995 1/20 0.32
LRRK2 Q5S007 1/20 0.32
TRIM24 O15164 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6931040 0.90 CXCR2 (0.34) CXCR2CXCR1LMNAALDH1A1AR
SCHEMBL6930049 0.88 CXCR2 (0.48) CXCR2CXCR1ALDH1A1
SCHEMBL6930932 0.80 CXCR2 (0.38) CXCR2CXCR1ALDH1A1PYGLAR
SCHEMBL6930935 0.80 AR (0.37) CXCR2CXCR1ARIDH1LRRK2
SCHEMBL7067490 0.68 CXCR2 (0.48) CXCR2CXCR1ALDH1A1ARIDH1
SCHEMBL7097896 0.68 CXCR2 (0.45) CXCR2CXCR1ALDH1A1
SCHEMBL6129921 0.66 CXCR2 (0.47) CXCR2CXCR1LMNAALDH1A1AR
SCHEMBL6930050 0.66 CXCR2 (0.44) CXCR2CXCR1ALDH1A1AR
SCHEMBL7067489 0.64 AR (0.42) CXCR2CXCR1ALDH1A1ARIDH1
SCHEMBL22954626 0.61 LRRK2 (0.54) ARIDH1LRRK2TRIM24MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265905-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
US-20030028042-A1 Il8-receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-02-06 US disclosed
EP-1265905-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-18 EP disclosed
WO-2001064691-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 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-20030028042-A1 Il8-receptor antagonists CXCL8, CCR8, IL1RN CXCR2 28/4885CXCR1 37/4885LMNA 4721/4885

“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.