SCHEMBL2806864

SCHEMBL2806864

CC(C)(C)c1nc2ccccc2c2sc(CONC(=O)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.44
TLR7 Q9NYK1 12/20 0.44
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL4964660 0.84 TLR8 (0.61) TLR8TLR7
SCHEMBL4970650 0.77 KMT2A (0.40) TLR8TLR7TP53ALOX5EPHX2
SCHEMBL2807850 0.72 TLR8 (0.57) TLR8TLR7
SCHEMBL2810620 0.70 TLR8 (0.64) TLR8TLR7
SCHEMBL6997420 0.70 TLR8 (0.61) TLR8TLR7
SCHEMBL1527927 0.67 TLR8 (0.72) TLR8TLR7
SCHEMBL1527985 0.67 TLR8 (0.59) TLR8TLR7
SCHEMBL2808735 0.67 TLR8 (0.72) TLR8TLR7
SCHEMBL5767654 0.66 TLR8 (0.56) TLR8TLR7GAA
Hydrochloric Acid SCHEMBL2807427 0.66 TLR8 (0.70) TLR8TLR7RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378102-B2 Oxime and hydroxylamine substituted thiazolo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20100240693-A1 Oxime and Hydroxylamine Substituted Thiazolo [4,5-C] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC (US) 2010-09-23 US 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-20100240693-A1 Oxime and Hydroxylamine Substituted Thiazolo [4,5-C] Ring Compounds and Methods IL4, IL2, TH TLR8 203/4885TLR7 43/4885TP53 383/4885

“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.