SCHEMBL2349880

SCHEMBL2349880

CC(C)(C)OC(=O)NC(=N)N(C(=O)OC(C)(C)C)c1cccc(C(CP(=O)(O)CCCCc2ccccc2)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
BACE1 P56817 3/20 0.35
PTGES O14684 1/20 0.34
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33
MMP3 P08254 4/20 0.32
ACE P12821 2/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL2349883 0.83 ITGB1 (0.36) ITGB1ITGA4BACE1MMP3ACE
SCHEMBL2349886 0.77 LMNA (0.37) BACE1PTGESMMP3
SCHEMBL2353271 0.74 LMNA (0.42) BACE1MMP3PPARG
SCHEMBL29597551 0.72 AKT1 (0.39) CTSKCTSSPPARGPPARA
SCHEMBL5053052 0.72 TSHR (0.55) TSHR
SCHEMBL207902 0.72 MTNR1B (0.40) PTGESCTSKCTSSACEPPARG
SCHEMBL2352501 0.72 BACE1 (0.41) BACE1
SCHEMBL208844 0.72 HDAC1 (0.36) BACE1PTGESCTSSPPARGPPARA
SCHEMBL8059032 0.71 TSHR (0.54) TSHR
SCHEMBL2350428 0.71 LMNA (0.43) MMP3TSHR

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 ITGB1 800/4885ITGA4 1735/4885BACE1 333/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 ITGB1 800/4885ITGA4 1735/4885BACE1 333/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 ITGB1 713/4885ITGA4 1832/4885BACE1 306/4885

“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.