SCHEMBL1896264

SCHEMBL1896264

COCc1nc2cnc3ccccc3c2n1CC(C)(C)OCCS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.45
TLR8 Q9NR97 10/20 0.45
TSHR P16473 2/20 0.36
NUDT1 P36639 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1896178 0.91 TLR7 (0.57) TLR7TLR8TSHRNUDT1LMNA
SCHEMBL1892984 0.90 TLR7 (0.44) TLR7TLR8NUDT1BRD4LRRK2
SCHEMBL1896357 0.89 TLR7 (0.49) TLR7TLR8NUDT1BRD4
SCHEMBL1894838 0.87 TLR7 (0.54) TLR7TLR8
SCHEMBL1894832 0.84 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL1891131 0.82 TLR7 (0.40) TLR7TLR8TSHRNUDT1LMNA
SCHEMBL1894186 0.81 TLR7 (0.54) TLR7TLR8TSHRNUDT1MEN1
SCHEMBL1890829 0.79 TLR7 (0.52) TLR7TLR8TSHRNUDT1LMNA
SCHEMBL3865660 0.78 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL31581121 0.77 TLR7 (0.71) TLR7TLR8TSHRNUDT1LMNA

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 145/4885TSHR 774/4885

“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.