SCHEMBL2350329

SCHEMBL2350329

CCCCCP(=O)(O)CC(C(=O)OC)c1ccccc1NC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.37
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2350331 0.80 KDM4E (0.39) KDM4EL3MBTL1S1PR1
SCHEMBL5532108 0.74 KMT2A (0.40) SMN1; SMN2KDM4EKMT2AL3MBTL1
SCHEMBL5538589 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5532350 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5537288 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5538139 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5537407 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5538868 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5538097 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1
SCHEMBL5535471 0.73 KDM4E (0.42) CETPKDM4EKMT2AL3MBTL1

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 27 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
JP-4472997-B2 2010-06-02 JP 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
JP-2006504622-A 2006-02-09 JP claimed
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP claimed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 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-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 CETP 423/4885CYP2C19 1757/4885CYP1A2 1968/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 CETP 221/4885CYP2C19 267/4885CYP1A2 774/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 CETP 221/4885CYP2C19 267/4885CYP1A2 774/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 CETP 179/4885CYP2C19 2215/4885CYP1A2 3752/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 CETP 194/4885CYP2C19 288/4885CYP1A2 786/4885

“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.