SCHEMBL6930935

SCHEMBL6930935

COc1cc(C#N)ccc1NN(O[PH](=O)ON(Nc1ccc(C#N)cc1OC)c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.37
CXCR2 P25025 2/20 0.37
CXCR1 P25024 1/20 0.37
STK10 O94804 3/20 0.34
SLK Q9H2G2 3/20 0.34
LRRK2 Q5S007 1/20 0.34
ACLY P53396 2/20 0.34
IDH1 O75874 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
MAPT P10636 2/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TRIM24 O15164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL6930932 0.92 CXCR2 (0.38) ARCXCR2CXCR1LRRK2ACLY
SCHEMBL6931040 0.81 CXCR2 (0.34) ARCXCR2CXCR1LRRK2ACLY
SCHEMBL6931039 0.80 CXCR2 (0.38) ARCXCR2CXCR1LRRK2IDH1
SCHEMBL7097896 0.79 CXCR2 (0.45) CXCR2CXCR1
SCHEMBL7067490 0.72 CXCR2 (0.48) ARCXCR2CXCR1LRRK2ACLY
SCHEMBL6129921 0.70 CXCR2 (0.47) ARCXCR2CXCR1LRRK2ACLY
SCHEMBL7067489 0.69 AR (0.42) ARCXCR2CXCR1LRRK2ACLY
SCHEMBL6930049 0.67 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL22954626 0.65 LRRK2 (0.54) ARLRRK2ACLYIDH1MAPT
SCHEMBL30376409 0.65 AR (0.51) ARMAPT

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 AR 1177/4885CXCR2 28/4885CXCR1 37/4885

“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.