SCHEMBL4772413

SCHEMBL4772413

Cc1c(Cl)nc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1NCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
BRD4 O60885 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GNRHR P30968 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL6095576 0.91 BRD4 (0.38) CA12CA1CA2CA9STK17B
SCHEMBL6095773 0.82 BRD4 (0.39) CA12CA1CA2CA9STK17B
SCHEMBL4310774 0.82 GAA (0.37)
SCHEMBL5334549 0.80 POLB (0.39) CA12CA1CA2CA9BCHE
SCHEMBL842831 0.75 BCHE (0.44) BCHEBRD4
SCHEMBL5339852 0.74 BCHE (0.38) CA12CA1CA2CA9BCHE
SCHEMBL4793194 0.73 BCHE (0.36) CA12CA1CA2CA9BCHE
SCHEMBL5340518 0.73 BRD4 (0.36) CA12CA1CA2CA9BCHE
SCHEMBL31037654 0.72 MEN1 (0.46) BCHECNR2ADORA2AADORA1EGFR
SCHEMBL5030437 0.72 POLB (0.41) BCHESTK17BSTK17ABRD4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 CNR1 1496/4885CA12 4280/4885CA1 4228/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP CNR1 1881/4885CA12 3608/4885CA1 4094/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 CNR1 1496/4885CA12 4280/4885CA1 4228/4885

“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.