SCHEMBL1896802

SCHEMBL1896802

CCCc1nc2c[n+]([O-])c3ccccc3c2n1CCOCCS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
TLR7 Q9NYK1 7/20 0.36
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 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
SCHEMBL1895809 0.94 TLR7 (0.41) TLR8SMN1; SMN2TLR7ALDH1A1
SCHEMBL1896279 0.93 TLR7 (0.39) TLR8SMN1; SMN2TLR7ALDH1A1LMNA
SCHEMBL1894486 0.92 TLR7 (0.40) TLR8SMN1; SMN2TLR7ALDH1A1MEN1
SCHEMBL1900262 0.86 TLR8 (0.34) TLR8TLR7MEN1KMT2AMAPT
SCHEMBL1899507 0.85 TLR7 (0.43) TLR8SMN1; SMN2HPGDTLR7MEN1
SCHEMBL1897487 0.82 TLR8 (0.43) TLR8SMN1; SMN2HPGDTLR7ALDH1A1
SCHEMBL1896081 0.80 TLR7 (0.47) TLR8TLR7ALDH1A1CYP1A2CYP3A4
SCHEMBL1895714 0.78 TLR8 (0.63) TLR8TLR7
SCHEMBL4155789 0.78 KMT2A (0.42) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL1894998 0.77 TLR7 (0.39) TLR8TLR7

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 TLR8 145/4885SMN1; SMN2 1797/4885HPGD 1034/4885

“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.