SCHEMBL2353883

SCHEMBL2353883

Nc1cccc(C(CP(=O)(O)CCCCc2ccccc2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.50
CPB2 Q96IY4 1/20 0.50
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
CETP P11597 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL2353054 0.94 CPN1 (0.44) CPN1CPB2TSHRCYP2D6POLB
SCHEMBL5053052 0.88 TSHR (0.55) TSHRCYP2D6POLBS1PR2S1PR4
SCHEMBL8059032 0.86 TSHR (0.54) TSHRCYP2D6POLBS1PR2S1PR4
SCHEMBL2353945 0.86 CPN1 (0.52) CPN1CPB2TSHRCETP
SCHEMBL2353058 0.84 TSHR (0.38) CPN1CPB2TSHRCYP2D6POLB
SCHEMBL5051132 0.84 TSHR (0.53) TSHRCYP2D6POLBS1PR2S1PR4
SCHEMBL2350428 0.82 LMNA (0.43) TSHRPOLBS1PR4S1PR1S1PR3
SCHEMBL23752186 0.78 LMNA (0.44) TSHRCYP2D6POLBS1PR4S1PR1
SCHEMBL2355128 0.78 LMNA (0.44) TSHRCYP2D6POLBS1PR4S1PR1
SCHEMBL5053311 0.78 TSHR (0.56) TSHRCYP2D6POLBCETP

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 23 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
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
WO-2006113247-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-26 WO disclosed
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-19 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
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 73/4885TSHR 2017/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 CPN1 10/4885CPB2 2/4885TSHR 2137/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 CPN1 10/4885CPB2 2/4885TSHR 2137/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 CPN1 1279/4885CPB2 78/4885TSHR 1602/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 CPN1 10/4885CPB2 2/4885TSHR 2586/4885

“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.