SCHEMBL991684

SCHEMBL991684

CN(CCOc1ccc(C(=O)O)cc1OCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
TSHR P16473 2/20 0.45
PDK2 Q15119 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL990949 0.88 PDK2 (0.43) PDK2THRATHRBMAOBALDH1A1
SCHEMBL26988606 0.86 ALDH1A1 (0.59) PDK2ALDH1A1
SCHEMBL25171472 0.83 PDK2 (0.52) POLBTSHRPDK2KDM4EMAPK1
SCHEMBL2592398 0.80 THRA (0.49) POLBCASP6TSHRTHRATHRB
SCHEMBL12177875 0.78 PDK2 (0.41) PDK2THRATHRBKDM4EGAA
SCHEMBL15076180 0.78 RBP4 (0.54) TSHRPDK2KDM4EALDH1A1RAB9A
SCHEMBL21601539 0.78 KDM4E (0.48) TSHRPDK2THRATHRBKDM4E
SCHEMBL21601500 0.78 KDM4E (0.49) PDK2KDM4EGAAMAPK1ALDH1A1
SCHEMBL21601517 0.78 PDK2 (0.45) PDK2THRATHRBKDM4EMAPK1
SCHEMBL30954600 0.78 PDK2 (0.45) PDK2THRATHRBKDM4EMAPK1

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 POLB 1853/4885CASP6 461/4885TSHR 3307/4885

“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.