SCHEMBL13274591

SCHEMBL13274591

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.43
MTOR P42345 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.37
MDM2 Q00987 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MDM4 O15151 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CETP P11597 2/20 0.34

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
SCHEMBL1763811 1.00 PDPK1 (0.43) PDPK1MTORL3MBTL1TP53MDM2
SCHEMBL9706806 0.83 PDPK1 (0.52) PDPK1MTORRECQLTSHRCETP
SCHEMBL9706801 0.83 PDPK1 (0.52) PDPK1MTORRECQLTSHRCETP
SCHEMBL1764547 0.82 PDPK1 (0.42) PDPK1MTORL3MBTL1TP53MDM2
SCHEMBL4913891 0.82 PDPK1 (0.42) PDPK1MTORL3MBTL1TP53MDM2
SCHEMBL15504384 0.80 L3MBTL1 (0.53) PDPK1MTORL3MBTL1TP53MDM2
SCHEMBL23563202 0.79 ALDH1A1 (0.39) PDPK1MTORLMNAKMT2AALDH1A1
SCHEMBL9300189 0.79 ALDH1A1 (0.39) PDPK1MTORLMNAKMT2AALDH1A1
SCHEMBL14268497 0.79 ALDH1A1 (0.39) PDPK1MTORLMNAKMT2AALDH1A1
SCHEMBL9706851 0.79 ALDH1A1 (0.39) PDPK1MTORLMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618269-B2 Glycorandomization and production of novel novobiocin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 US disclosed
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 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-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT PDPK1 2809/4885MTOR 3668/4885L3MBTL1 1885/4885

“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.