SCHEMBL991922

SCHEMBL991922

CN(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.53
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
KAT6A Q92794 1/20 0.41
KAT5 Q92993 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
MMP2 P08253 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TSHR P16473 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL16682335 0.87 TDP1 (0.41) PDK2KDM4EPOLBTDP1CA12
SCHEMBL8257865 0.87 PDK2 (0.54) PDK2KDM4EPOLBKAT6AKAT5
SCHEMBL21601541 0.87 PDK2 (0.54) PDK2KDM4EPOLBDRD2TSHR
SCHEMBL10223346 0.86 PDK2 (0.51) PDK2KDM4EPOLBKAT6AKAT5
SCHEMBL12745032 0.86 PDK2 (0.56) PDK2KDM4EPOLBKAT6AKAT5
SCHEMBL21601216 0.86 PDK2 (0.53) PDK2KDM4EPOLBKAT6AKAT5
SCHEMBL8250703 0.86 PDK2 (0.53) PDK2KDM4EPOLBMMP2ALDH1A1
SCHEMBL13166934 0.86 PDK2 (0.53) PDK2KDM4EPOLBALDH1A1
SCHEMBL1009027 0.85 PDK2 (0.58) PDK2KDM4EPOLBTDP1ALDH1A1
SCHEMBL25171472 0.84 PDK2 (0.52) PDK2KDM4EPOLBDRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-05-24 US disclosed
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
EP-2238102-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS Lead Therapeutics, Inc. (US) 2010-10-13 EP disclosed
WO-2009085562-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2009-07-09 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-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, SI, DNPEP PDK2 2742/4885KDM4E 1568/4885POLB 1524/4885
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 PDK2 1957/4885KDM4E 746/4885POLB 1853/4885

“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.