SCHEMBL991783

SCHEMBL991783

CCN(CCO)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.45
HTR2A P28223 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
IDO1 P14902 2/20 0.44
MAOB P27338 1/20 0.44
AKR1C3 P42330 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL990977 0.91 ALDH1A1 (0.46) ALDH1A1HTTHTR2ATSHRL3MBTL1
SCHEMBL991790 0.84 ALDH1A1 (0.52) ALDH1A1HTTHTR2ATSHRRAB9A
SCHEMBL7367394 0.82 CRHBP (0.58) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13684200 0.81 ALDH1A1 (0.54) ALDH1A1HTTHTR2AL3MBTL1RAB9A
SCHEMBL554131 0.80 CCR6 (0.55) ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL15618793 0.79 ALDH1A1 (0.55) ALDH1A1HTTHTR2AL3MBTL1RAB9A
SCHEMBL3367817 0.79 KCNH2 (0.49) ALDH1A1HTTL3MBTL1ATMMAOB
SCHEMBL14415498 0.78 ALDH1A1 (0.52) ALDH1A1HTTHTR2AL3MBTL1RAB9A
SCHEMBL3370480 0.77 HTT (0.45) ALDH1A1HTTL3MBTL1ATMMAOB
SCHEMBL6771262 0.77 ALDH1A1 (0.48) ALDH1A1HTTHTR2ATSHRRAB9A

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
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 ALDH1A1 3289/4885HTT 3423/4885HTR2A 4843/4885

“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.