SCHEMBL1890768

SCHEMBL1890768

CCCCCCc1nc2cnc3ccccc3c2n1CCOCCS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.46
TLR8 Q9NR97 4/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL1893887 0.99 TLR7 (0.46) TLR7TLR8LMNATSHRATM
SCHEMBL1896335 0.96 TLR7 (0.47) TLR7TLR8ALDH1A1
SCHEMBL1897487 0.92 TLR8 (0.43) TLR7TLR8LMNASMN1; SMN2ALDH1A1
SCHEMBL5362485 0.88 TLR7 (0.52) TLR7TLR8LMNATSHRATM
SCHEMBL1896707 0.88 TLR7 (0.46) TLR7TLR8LMNATSHRATM
SCHEMBL1897835 0.87 SMN1; SMN2 (0.42) TLR7TLR8SMN1; SMN2ALDH1A1
SCHEMBL1893301 0.85 TLR8 (0.56) TLR7TLR8LMNATSHRATM
SCHEMBL5355227 0.85 TLR7 (0.51) TLR7TLR8LMNA
SCHEMBL1893889 0.85 TLR7 (0.64) TLR7TLR8
SCHEMBL6104116 0.85 TLR7 (0.49) TLR7TLR8LMNATSHR

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 145/4885LMNA 4796/4885

“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.