SCHEMBL2352129

SCHEMBL2352129

N=C(N)Nc1cccc(C(CP(=O)(O)O)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.39
CPB2 Q96IY4 2/20 0.39
GRB2 P62993 1/20 0.37
FADS1 O60427 1/20 0.37
F10 P00742 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PLAU P00749 2/20 0.36
FOLH1 Q04609 1/20 0.35

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
SCHEMBL2351043 0.88 ALDH1A1 (0.39) CPN1CPB2GRB2FADS1F10
SCHEMBL2352833 0.88 PLAU (0.38) CPN1CPB2GRB2FADS1ITGB3
SCHEMBL2355830 0.86 NPSR1 (0.38) ITGB3ITGA2BMEN1KMT2APLAU
SCHEMBL2353245 0.84 CYP2D6 (0.41) F10ITGB3ITGA2B
SCHEMBL2356284 0.84 GRB2 (0.37) CPN1CPB2GRB2FADS1F10
SCHEMBL2348810 0.83 KDM4E (0.41) GRB2ALDH1A1
SCHEMBL2349923 0.83 CPN1 (0.58) CPN1CPB2FADS1F10ITGB3
SCHEMBL23752186 0.82 LMNA (0.44) F10ITGB3ITGA2BMEN1KMT2A
SCHEMBL2355128 0.82 LMNA (0.44) F10ITGB3ITGA2BMEN1KMT2A
SCHEMBL2353764 0.82 MMP3 (0.37) GRB2FADS1F10MEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008325-B2 Plasma carboxypeptidase B inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-30 US claimed
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS BUCKMAN BRAD 2009-04-09 US claimed
EP-1874322-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-09 EP claimed
EP-1817041-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-15 EP claimed
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US claimed
WO-2006113247-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-26 WO claimed
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-19 US claimed
US-20060105995-A1 TAFI inhibitors and their use to treat pulmonary fibrosis SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-18 US claimed
WO-2006041808-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-20 WO claimed
CN-1656107-A Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2005-08-17 CN claimed
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-20060105995-A1 TAFI inhibitors and their use to treat pulmonary fibrosis SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-18 US disclosed
WO-2006041808-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-20 WO disclosed
CN-1656107-A Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2005-08-17 CN disclosed
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO 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 (5 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-20060105995-A1 TAFI inhibitors and their use to treat pulmonary fibrosis SERPINB1, TFPI, TFPI2 CPN1 508/4885CPB2 73/4885GRB2 3529/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 CPN1 10/4885CPB2 2/4885GRB2 3581/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 CPN1 10/4885CPB2 2/4885GRB2 3581/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 CPN1 1279/4885CPB2 78/4885GRB2 3437/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 CPN1 10/4885CPB2 2/4885GRB2 3504/4885

“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.