SCHEMBL2355898

SCHEMBL2355898

CC(C)C(NC(=O)OCc1ccccc1)P(=O)(O)CC(C(=O)OC(C)(C)C)c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
ELANE P08246 2/20 0.46
PRTN3 P24158 2/20 0.46
NTSR1 P30989 1/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
BACE1 P56817 3/20 0.42
TACR1 P25103 1/20 0.42
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ECE1 P42892 4/20 0.41
MME P08473 3/20 0.41
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL2352188 0.89 PRTN3 (0.47) SYKELANEPRTN3NTSR1MAPT
SCHEMBL2354373 0.88 SYK (0.43) SYKELANEPRTN3NTSR1MAPT
SCHEMBL2355879 0.85 PRTN3 (0.47) SYKELANEPRTN3NTSR1MAPT
SCHEMBL4500607 0.84 PRTN3 (0.47) SYKELANEPRTN3NTSR1MAPT
SCHEMBL2350196 0.83 SYK (0.47) SYKELANEPRTN3NTSR1MAPT
SCHEMBL2354971 0.83 GLS (0.39) NTSR1MAPTTDP1MAPK1GPR55
SCHEMBL2933823 0.81 PRTN3 (0.44) ELANEPRTN3ECE1MME
SCHEMBL2350988 0.79 ELANE (0.52) ELANEPRTN3ECE1MMEACE2
SCHEMBL2353547 0.79 ELANE (0.60) ELANEPRTN3ECE1MMEACE2
SCHEMBL2353066 0.77 GLS (0.39)

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 SYK 3132/4885ELANE 16/4885PRTN3 217/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 SYK 3285/4885ELANE 182/4885PRTN3 83/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 SYK 3285/4885ELANE 182/4885PRTN3 83/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 SYK 2738/4885ELANE 1407/4885PRTN3 1240/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 SYK 3317/4885ELANE 153/4885PRTN3 84/4885

“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.