SCHEMBL1894486

SCHEMBL1894486

CCc1nc2c[n+]([O-])c3ccccc3c2n1CCOCCS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40
TLR8 Q9NR97 2/20 0.39
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
JAK2 O60674 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL1896802 0.92 TLR8 (0.38) TLR7TLR8MEN1KMT2AALDH1A1
SCHEMBL1895809 0.90 TLR7 (0.41) TLR7TLR8ALDH1A1SMN1; SMN2
SCHEMBL1896279 0.89 TLR7 (0.39) TLR7TLR8ATMALDH1A1MAPT
SCHEMBL1900262 0.88 TLR8 (0.34) TLR7TLR8ATML3MBTL1MAPK1
SCHEMBL1894998 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL1896707 0.81 TLR7 (0.46) TLR7TLR8ATML3MBTL1MAPK1
SCHEMBL5106169 0.79 TLR7 (0.40) TLR7TLR8
SCHEMBL1892862 0.78 TLR7 (0.50) TLR7TLR8MEN1KMT2ALMNA
SCHEMBL1895870 0.77 TLR7 (0.66) TLR7TLR8
SCHEMBL1899507 0.77 TLR7 (0.43) TLR7TLR8MEN1KMT2AMAPT

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 145/4885ATM 3591/4885

“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.