SCHEMBL2353624

SCHEMBL2353624

COC(=O)C(OP(=O)(O)[C@@H](NS(=O)(=O)Cc1ccccc1)C(C)C)c1cccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
PTGES O14684 1/20 0.32
MAPT P10636 3/20 0.32
ATM Q13315 1/20 0.32
PPARG P37231 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
KAT6A Q92794 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
IDO1 P14902 1/20 0.31
NTSR1 P30989 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TACR1 P25103 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
CNR1 P21554 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
SCHEMBL2349221 0.94 BACE1 (0.34) BACE1AURKARPS6KB1PTGESMAPT
SCHEMBL2352689 0.87 BACE1 (0.43) BACE1AURKARPS6KB1PPARG
SCHEMBL2349108 0.87 BACE1 (0.43) BACE1AURKARPS6KB1PPARG
SCHEMBL2352506 0.82 BACE1 (0.43) BACE1PPARG
SCHEMBL2351018 0.82 AURKA (0.31) BACE1AURKARPS6KB1MAPTIDO1
SCHEMBL2348866 0.82 AURKA (0.31) BACE1AURKARPS6KB1MAPTIDO1
SCHEMBL2348859 0.82 AURKA (0.31) BACE1AURKARPS6KB1MAPTIDO1
SCHEMBL2352542 0.81 HTT (0.36) BACE1KAT6A
SCHEMBL2352538 0.81 HTT (0.36) BACE1KAT6A
SCHEMBL3686706 0.80 CNR1 (0.32) BACE1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors BUCKMAN BRAD (US) 2011-12-29 US disclosed
US-8008325-B2 Plasma carboxypeptidase B inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-30 US disclosed
EP-2204373-A1 Phosphonic acid as Plasma Carboxypeptidase B Inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2010-07-07 EP disclosed
US-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 US disclosed
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS BUCKMAN BRAD 2009-04-09 US disclosed
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 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 (3 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-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 BACE1 333/4885AURKA 3548/4885RPS6KB1 1196/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 BACE1 333/4885AURKA 3548/4885RPS6KB1 1196/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 BACE1 306/4885AURKA 3612/4885RPS6KB1 1156/4885

“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.