SCHEMBL3402800

SCHEMBL3402800

CC(C)(C)OC(=O)NCCC(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
ACE P12821 1/20 0.38
EPHX1 P07099 1/20 0.37
MAN2B1 O00754 1/20 0.37
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 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
SCHEMBL31307530 0.86 KMT2A (0.43) MEN1GAAKMT2AALDH1A1PKM
SCHEMBL18123719 0.84 MEN1 (0.47) MEN1GAAKMT2ATDP1ACE
SCHEMBL17527990 0.84 GAA (0.51) MEN1GAAKMT2AALDH1A1TDP1
SCHEMBL20650891 0.84 GAA (0.51) MEN1GAAKMT2AALDH1A1TDP1
SCHEMBL9318867 0.77 ALDH1A1 (0.40) MEN1GAAKMT2AALDH1A1PKM
SCHEMBL28337694 0.77 MAPT (0.51) GAAALDH1A1PKMLMNAMAPT
SCHEMBL31509615 0.76 MEN1 (0.59) MEN1GAAKMT2ATDP1MALT1
SCHEMBL18145560 0.76 FOLH1 (0.46) MEN1GAAKMT2ATDP1ACE
SCHEMBL18145563 0.76 FOLH1 (0.46) MEN1GAAKMT2ATDP1ACE
SCHEMBL17254414 0.75 MEN1 (0.55) MEN1GAAKMT2ATDP1ACE

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 MEN1 2517/4885GAA 185/4885KMT2A 556/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 MEN1 3339/4885GAA 163/4885KMT2A 442/4885

“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.