SCHEMBL2349221

SCHEMBL2349221

CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)P(=O)(O)OC(C(=O)O)c1cccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
PTGES O14684 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
KAT6A Q92794 1/20 0.32
IDO1 P14902 1/20 0.32
ADAMTS4 O75173 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
STS P08842 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
CMA1 P23946 1/20 0.31
CTRC Q99895 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
SCHEMBL2353624 0.94 BACE1 (0.34) BACE1ITGB3ITGAVAURKARPS6KB1
SCHEMBL2352538 0.86 HTT (0.36) BACE1KAT6AHDAC1
SCHEMBL2352542 0.86 HTT (0.36) BACE1KAT6AHDAC1
SCHEMBL2352506 0.86 BACE1 (0.43) BACE1
SCHEMBL2349108 0.81 BACE1 (0.43) BACE1AURKARPS6KB1
SCHEMBL2352689 0.81 BACE1 (0.43) BACE1AURKARPS6KB1
SCHEMBL2352549 0.80 ITGB3 (0.37) ITGB3ITGAVMAPT
SCHEMBL3696034 0.79 ITGB1 (0.32) BACE1STS
SCHEMBL2348866 0.76 AURKA (0.31) BACE1AURKARPS6KB1MAPTIDO1
SCHEMBL2348859 0.76 AURKA (0.31) BACE1AURKARPS6KB1MAPTIDO1

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 333/4885ITGB3 623/4885ITGAV 2064/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 BACE1 333/4885ITGB3 623/4885ITGAV 2064/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 BACE1 306/4885ITGB3 695/4885ITGAV 2140/4885

“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.