SCHEMBL2354971

SCHEMBL2354971

CC(C)C(N)P(=O)(O)CC(C(=O)OC(C)(C)C)c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.39
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
XBP1 P17861 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NAMPT P43490 1/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 3/20 0.36
NTSR1 P30989 1/20 0.36
MAPK1 P28482 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL2350401 0.88 GLS (0.37) GLSMAPTNPSR1RECQLL3MBTL1
SCHEMBL2353039 0.83 GLS (0.36) GLSMAPTNPSR1RECQLL3MBTL1
SCHEMBL2355898 0.83 SYK (0.47) MAPTNPSR1TDP1GPR55KDM4E
SCHEMBL2936801 0.79 S1PR1 (0.35)
SCHEMBL13715120 0.79 GLS (0.46) GLSL3MBTL1NAMPTHDAC1BRD4
SCHEMBL27779357 0.77 GLS (0.47) GLSL3MBTL1NAMPTHDAC1BRD4
SCHEMBL12318659 0.76 GLS (0.49) GLSL3MBTL1NAMPTHDAC1BRD4
SCHEMBL6130843 0.76 S1PR1 (0.37) L3MBTL1
SCHEMBL2352188 0.76 PRTN3 (0.47) MAPTNPSR1TDP1GPR55MEN1
SCHEMBL21089822 0.75 GLS (0.48) GLSL3MBTL1NAMPTHDAC1BRD4

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 13 patents. 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
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US 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
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
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

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 GLS 1007/4885MAPT 3789/4885NPSR1 4702/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 GLS 797/4885MAPT 3934/4885NPSR1 359/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 GLS 797/4885MAPT 3934/4885NPSR1 359/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 GLS 3372/4885MAPT 4115/4885NPSR1 4605/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 GLS 909/4885MAPT 3883/4885NPSR1 370/4885

“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.