SCHEMBL5376069

SCHEMBL5376069

CC(C)(C)OC(=O)c1ncccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.45
EGLN2 Q96KS0 1/20 0.44
FTO Q9C0B1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
METAP1 P53582 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GRM4 Q14833 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
POLB P06746 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
SCHEMBL6514164 0.94 KDM4E (0.45) TLR7EGLN2FTOL3MBTL1METAP1
SCHEMBL6514167 0.90 TLR7 (0.39) TLR7EGLN2FTOMETAP1GRM4
SCHEMBL21358025 0.85 GABRA1 (0.42) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL30441012 0.83 KDM4E (0.46) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL28085307 0.83 L3MBTL1 (0.41) L3MBTL1METAP1ALDH1A1LMNAPOLB
Ammonia Solution, Strong SCHEMBL28013995 0.81 KDM4E (0.44) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL30322596 0.81 L3MBTL1 (0.41) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL27593401 0.81 GRM4 (0.41) TLR7L3MBTL1METAP1GRM4ALDH1A1
SCHEMBL2414354 0.81 POLB (0.44) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL108876 0.80 L3MBTL1 (0.62) TLR7EGLN2FTOL3MBTL1ALDH1A1

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TLR7 1447/4885EGLN2 1440/4885FTO 1875/4885

“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.