SCHEMBL2350183

SCHEMBL2350183

CC(NC(=O)OCc1ccccc1)P(=O)(O)CC(C(=O)O)c1cccc(NC(=N)N)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
PPARG P37231 2/20 0.48
ACE2 Q9BYF1 1/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP14 P50281 3/20 0.44
MMP8 P22894 2/20 0.44
ECE1 P42892 2/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL2356634 0.91 ELANE (0.48) PPARGACE2ECE1MME
SCHEMBL2352162 0.90 ACE2 (0.59) MMP1MMP3PPARGACE2MMP14
SCHEMBL2353101 0.86 HSD17B10 (0.48) MMP1MMP3PPARG
SCHEMBL2353765 0.85 PPARG (0.48) MMP1MMP3PPARG
SCHEMBL2353096 0.85 MGLL (0.40) PPARG
SCHEMBL2352116 0.85 ALDH1A1 (0.44) PPARGECE1MME
SCHEMBL2356042 0.84 ACE2 (0.41) PPARGACE2ECE1MME
SCHEMBL2352132 0.83 PPARG (0.44) MMP3PPARG
SCHEMBL2352125 0.82 MMP3 (0.52) MMP3ECE1MME
SCHEMBL2352431 0.80 ELANE (0.47) PPARGECE1

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-20110319366-A1 Plasma Carboxypeptidase B Inhibitors BUCKMAN BRAD (US) 2011-12-29 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 MMP1 21/4885MMP3 56/4885PPARG 1127/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 MMP1 191/4885MMP3 173/4885PPARG 4840/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 MMP1 191/4885MMP3 173/4885PPARG 4840/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 MMP1 256/4885MMP3 290/4885PPARG 1793/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 MMP1 175/4885MMP3 173/4885PPARG 4837/4885

“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.