SCHEMBL2348866

SCHEMBL2348866

COC(=O)C(OP(=O)(O)C(N)C(C)C)c1cccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
IDO1 P14902 1/20 0.31
BACE1 P56817 4/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CASR P41180 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
FADS1 O60427 1/20 0.30

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
SCHEMBL2351018 1.00 AURKA (0.31) AURKARPS6KB1IDO1BACE1MAPT
SCHEMBL2348859 1.00 AURKA (0.31) AURKARPS6KB1IDO1BACE1MAPT
SCHEMBL2349108 0.83 BACE1 (0.43) AURKARPS6KB1BACE1
SCHEMBL2352689 0.83 BACE1 (0.43) AURKARPS6KB1BACE1
SCHEMBL2353624 0.82 BACE1 (0.34) AURKARPS6KB1IDO1BACE1MAPT
SCHEMBL2353305 0.79 IDO1 (0.36) AURKARPS6KB1IDO1BACE1RXFP1
SCHEMBL2353309 0.79 IDO1 (0.36) AURKARPS6KB1IDO1BACE1RXFP1
SCHEMBL2352506 0.78 BACE1 (0.43) BACE1
SCHEMBL2349221 0.76 BACE1 (0.34) AURKARPS6KB1IDO1BACE1MAPT
SCHEMBL2352538 0.75 HTT (0.36) BACE1

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 AURKA 3548/4885RPS6KB1 1196/4885IDO1 1366/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 AURKA 3548/4885RPS6KB1 1196/4885IDO1 1366/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 AURKA 3612/4885RPS6KB1 1156/4885IDO1 1359/4885

“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.