SCHEMBL991359

SCHEMBL991359

CN(CCOCCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
KCNH2 Q12809 6/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 2/20 0.44
SLC6A4 P31645 2/20 0.44
PDK2 Q15119 1/20 0.44
PPARD Q03181 2/20 0.43
LSS P48449 1/20 0.43

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
SCHEMBL991681 0.93 KCNH2 (0.54) GAAMAPTKCNH2ACHESLC6A4
SCHEMBL2478146 0.84 KCNH2 (0.54) GAAMAPTKCNH2ALDH1A1LMNA
SCHEMBL16682352 0.82 KCNH2 (0.60) GAAMAPTKCNH2ACHESLC6A4
SCHEMBL26728271 0.81 GAA (0.51) GAAMAPTKCNH2ALDH1A1LMNA
SCHEMBL30380421 0.81 ALDH1A1 (0.43) GAAMAPTALDH1A1LMNAACHE
SCHEMBL30849521 0.81 KCNH2 (0.50) GAAMAPTKCNH2ACHEPPARD
SCHEMBL18530427 0.81 MAPT (0.52) GAAMAPTKCNH2ALDH1A1LMNA
SCHEMBL21348716 0.81 MAPT (0.52) GAAMAPTKCNH2ALDH1A1LMNA
SCHEMBL17668972 0.80 ALDH1A1 (0.56) MAPTKCNH2ALDH1A1LMNA
SCHEMBL4496249 0.79 KCNH2 (0.51) GAAMAPTKCNH2ALDH1A1ACHE

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
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 GAA 116/4885MAPT 4691/4885KCNH2 979/4885

“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.