SCHEMBL990949

SCHEMBL990949

COC(=O)c1ccc(OCCN(C)C(=O)OC(C)(C)C)c(OCCN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
MAPT P10636 3/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 2/20 0.38
MCHR1 Q99705 1/20 0.38
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMPD1 P17405 3/20 0.37
MDH1 P40925 1/20 0.37
MDH2 P40926 1/20 0.37

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
SCHEMBL991684 0.88 POLB (0.48) PDK2THRATHRBMAOBALDH1A1
SCHEMBL26988521 0.87 ALDH1A1 (0.46) PDK2AAK1ALDH1A1
SCHEMBL2432345 0.84 MAPT (0.59) PDK2MAPTSMN1; SMN2DRD2ALDH1A1
SCHEMBL7392613 0.82 PDK2 (0.52) PDK2MAPTTHRATHRBCYP1A2
SCHEMBL21601500 0.78 KDM4E (0.49) PDK2MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL21601517 0.78 PDK2 (0.45) PDK2THRATHRBMAOBMCHR1
SCHEMBL30954600 0.78 PDK2 (0.45) PDK2THRATHRBMAOBMCHR1
SCHEMBL28504583 0.78 PDK2 (0.45) PDK2SMN1; SMN2AAK1ALDH1A1
SCHEMBL6268089 0.78 SLC6A9 (0.50) PDK2MCHR1
SCHEMBL30087182 0.77 PDK2 (0.38) PDK2SMN1; SMN2KMT2AALDH1A1

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 PDK2 1957/4885MAPT 4691/4885THRA 3022/4885

“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.