SCHEMBL1895809

SCHEMBL1895809

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCOCCS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.41
TLR8 Q9NR97 4/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1896279 0.96 TLR7 (0.39) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL1896802 0.94 TLR8 (0.38) TLR7TLR8ALDH1A1SMN1; SMN2
SCHEMBL1894486 0.90 TLR7 (0.40) TLR7TLR8ALDH1A1SMN1; SMN2
SCHEMBL1896081 0.85 TLR7 (0.47) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL1900262 0.84 TLR8 (0.34) TLR7TLR8
SCHEMBL1896335 0.83 TLR7 (0.47) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL5259308 0.82 GAA (0.40) TLR7TLR8CNR1CNR2SMN1; SMN2
SCHEMBL3971953 0.81 TLR7 (0.47) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL4333747 0.80 TLR7 (0.46) TLR7TLR8CNR2
SCHEMBL1960054 0.80 TLR7 (0.42) TLR7TLR8PDE4APDE4BPDE4C

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
US-7939526-B2 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-20070155767-A1 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY 2007-07-05 US disclosed
EP-1694674-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005076783-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-25 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-20070155767-A1 Sulfone substituted imidazo ring ethers IL2, IL4, IFNG TLR7 82/4885TLR8 145/4885PDE4A 3997/4885

“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.