SCHEMBL4907264

SCHEMBL4907264

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.44
MTOR P42345 1/20 0.44
TSHR P16473 1/20 0.35
FUCA1 P04066 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
CETP P11597 3/20 0.32
BCHE P06276 1/20 0.31
RECQL P46063 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL1764273 1.00 PDPK1 (0.44) PDPK1MTORTSHRFUCA1ALDH1A1
SCHEMBL9706806 0.87 PDPK1 (0.52) PDPK1MTORTSHRFUCA1CETP
SCHEMBL9706801 0.87 PDPK1 (0.52) PDPK1MTORTSHRFUCA1CETP
SCHEMBL13274591 0.78 PDPK1 (0.43) PDPK1MTORTSHRALDH1A1CETP
SCHEMBL1763811 0.78 PDPK1 (0.43) PDPK1MTORTSHRALDH1A1CETP
SCHEMBL23563202 0.76 ALDH1A1 (0.39) PDPK1MTORTSHRFUCA1ALDH1A1
SCHEMBL9300189 0.76 ALDH1A1 (0.39) PDPK1MTORTSHRFUCA1ALDH1A1
SCHEMBL9706851 0.76 ALDH1A1 (0.39) PDPK1MTORTSHRFUCA1ALDH1A1
SCHEMBL14268497 0.76 ALDH1A1 (0.39) PDPK1MTORTSHRFUCA1ALDH1A1
SCHEMBL9299791 0.76 PDPK1 (0.65) PDPK1MTORTSHRALDH1A1CETP

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 3 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
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 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 (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-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT PDPK1 2809/4885MTOR 3668/4885TSHR 3900/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 PDPK1 2037/4885MTOR 1888/4885TSHR 4025/4885

“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.