SCHEMBL991360

SCHEMBL991360

CN(CCOCCOc1ccc(N=C=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
THRA P10827 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APP P05067 2/20 0.35
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
PPARA Q07869 5/20 0.34
PPARD Q03181 4/20 0.34
MMP2 P08253 1/20 0.34
POLB P06746 1/20 0.34
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL991770 0.93 PDK2 (0.48) PDK2KDM4EALDH1A1KAT6AKAT5
SCHEMBL12177889 0.90 PDK2 (0.43) PDK2KDM4EALDH1A1PPARAPPARD
SCHEMBL2479940 0.84 KDM4E (0.44) THRAKDM4EALDH1A1TDP1APP
SCHEMBL12177881 0.81 PDK2 (0.46) PDK2KDM4EKAT6AKAT5MMP2
SCHEMBL991641 0.79 MEN1 (0.36) PDK2KDM4EPPARAPOLB
SCHEMBL991076 0.78 CYP3A4 (0.41) PDK2PPARAPPARD
SCHEMBL991359 0.78 GAA (0.48) PDK2ALDH1A1PPARD
SCHEMBL12925102 0.78 TRPM8 (0.36) PDK2KDM4EALDH1A1PPARAPPARD
SCHEMBL12177875 0.78 PDK2 (0.41) PDK2THRAKDM4EALDH1A1KAT6A
SCHEMBL992923 0.78 BCHE (0.35) PDK2KDM4EPPARAPOLB

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 PDK2 1957/4885THRA 3022/4885KDM4E 746/4885

“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.