SCHEMBL1764547

SCHEMBL1764547

CC(=O)N[C@H]1C[C@@H](C)OC(OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.42
MTOR P42345 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ST6GAL1 P15907 2/20 0.34
POLB P06746 1/20 0.34
OGA O60502 1/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
CETP P11597 2/20 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
SCHEMBL4913891 1.00 PDPK1 (0.42) PDPK1MTORL3MBTL1RECQLALDH1A1
SCHEMBL1763811 0.82 PDPK1 (0.43) PDPK1MTORL3MBTL1RECQLALDH1A1
SCHEMBL13274591 0.82 PDPK1 (0.43) PDPK1MTORL3MBTL1RECQLALDH1A1
SCHEMBL9706801 0.75 PDPK1 (0.52) PDPK1MTORRECQLTSHRCETP
SCHEMBL9706806 0.75 PDPK1 (0.52) PDPK1MTORRECQLTSHRCETP
SCHEMBL24352059 0.72 L3MBTL1 (0.49) L3MBTL1POLBBRD4
SCHEMBL9300189 0.71 ALDH1A1 (0.39) PDPK1MTORALDH1A1TSHRCETP
SCHEMBL14268497 0.71 ALDH1A1 (0.39) PDPK1MTORALDH1A1TSHRCETP
SCHEMBL23563202 0.71 ALDH1A1 (0.39) PDPK1MTORALDH1A1TSHRCETP
SCHEMBL9706851 0.71 ALDH1A1 (0.39) PDPK1MTORALDH1A1TSHRCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 PDPK1 2088/4885MTOR 1932/4885L3MBTL1 1988/4885

“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.