SCHEMBL4691064

SCHEMBL4691064

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.44
CA9 Q16790 10/20 0.44
CA1 P00915 9/20 0.44
CA2 P00918 9/20 0.44
CA4 P22748 9/20 0.44
CA7 P43166 9/20 0.44
HTT P42858 2/20 0.40
ERN1 O75460 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 2/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL4648066 0.77 CA12 (0.49) CA12CA9CA1CA2CA4
SCHEMBL10636828 0.67 CA12 (0.62) CA12CA9CA1CA2CA4
SCHEMBL11120453 0.67 HTT (0.42) HTTERN1TDP1PKM
SCHEMBL6313062 0.65 PTGS2 (0.62) CA9HTTERN1TDP1PKM
SCHEMBL29212380 0.64 CA12 (0.51) CA12CA9CA1CA2CA4
SCHEMBL10981831 0.64 HTT (0.56) HTTERN1TDP1PKM
Potassium Ion SCHEMBL6313612 0.64 ERN1 (0.57) HTTERN1TDP1ALOX5PKM
SCHEMBL7929923 0.64 HTT (0.56) HTTERN1TDP1ALOX5PKM
SCHEMBL7929928 0.64 HTT (0.67) HTTERN1TDP1ALOX5PKM
SCHEMBL4946627 0.64 ERN1 (0.72) CA12CA9CA1CA2CA4

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-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 CA12 3361/4885CA9 1990/4885CA1 3382/4885

“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.