SCHEMBL3370480

SCHEMBL3370480

CCN(CCOc1ccc(C(=O)O)cc1OCCN(CC)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
PLA2G4B P0C869 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP6 P55212 1/20 0.41
TTR P02766 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL3369991 0.88 HTT (0.47) HTTPLA2G4BKCNH2MAPTPOLB
SCHEMBL3367817 0.86 KCNH2 (0.49) HTTPLA2G4BKCNH2ATML3MBTL1
SCHEMBL991783 0.77 ALDH1A1 (0.47) HTTKCNH2ATML3MBTL1MAPT
SCHEMBL3370576 0.73 MEN1 (0.48) HTTPLA2G4BKCNH2ALDH1A1ABCG2
SCHEMBL7367394 0.73 CRHBP (0.58) ALDH1A1LMNASMN1; SMN2
SCHEMBL10636135 0.73 HTT (0.52) HTTPLA2G4BMAPTALDH1A1MAOB
SCHEMBL9688399 0.71 MAOB (0.69) HTTPLA2G4BMAPTPOLBMAOB
SCHEMBL13684200 0.70 ALDH1A1 (0.54) HTTATML3MBTL1MAPTPOLB
SCHEMBL990977 0.69 ALDH1A1 (0.46) HTTKCNH2L3MBTL1MAPTPOLB
SCHEMBL4528132 0.69 THRA (0.52) HTTPLA2G4BMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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 (2 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 HTT 3665/4885PTGDR2 3712/4885PLA2G4B 4224/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 HTT 3666/4885PTGDR2 3571/4885PLA2G4B 4171/4885

“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.