SCHEMBL2349607

SCHEMBL2349607

CC(C)C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)P(=O)(O)CC(C(=O)O)c1cccc(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ MMP13 P45452 4/20 0.42
▸ ADAMTS4 O75173 3/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ ITGB3 P05106 3/20 0.41
▸ ITGAV P06756 3/20 0.41
▸ ITGA2B P08514 3/20 0.41
▸ MMP7 P09237 2/20 0.40
▸ MMP2 P08253 3/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL2353236 0.89 MMP2 (0.49) MMP13ADAMTS4MMP7MMP2MMP9
SCHEMBL23752597 0.89 MMP2 (0.49) MMP13ADAMTS4MMP7MMP2MMP9
SCHEMBL2354151 0.84 ADAMTS4 (0.58) MMP13ADAMTS4MMP7MMP2MMP9
SCHEMBL2354755 0.83 POLB (0.48) NPSR1MMP13ADAMTS4MMP7MMP2
SCHEMBL2352197 0.83 ADAMTS4 (0.42) MMP13ADAMTS4ITGB3ITGAVITGA2B
SCHEMBL2353443 0.81 MMP2 (0.49) MMP13ADAMTS4ITGB3ITGA2BMMP7
SCHEMBL2354741 0.80 SLC1A3 (0.41) SLC1A3SLC1A2MMP13ADAMTS4ITGB3
SCHEMBL2352464 0.80 ALDH1A1 (0.43) SLC1A3SLC1A2MMP13ADAMTS4MMP7
SCHEMBL2353188 0.79 ADAMTS4 (0.40) MMP13ADAMTS4MMP7MMP2MMP9
SCHEMBL2353824 0.79 SLC1A3 (0.43) SLC1A3SLC1A2MMP13ADAMTS4MMP7

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4472997-B2 — — 2010-06-02 — — JP claimed
US-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 — — 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-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 — — 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 (4 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 NPSR1 4702/4885SLC1A3 2975/4885SLC1A2 3923/4885
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 NPSR1 359/4885SLC1A3 1974/4885SLC1A2 2478/4885
US-20060234986-A1 Use of TAFI inhibitors for enhanced myocardial reperfusion and facilitated PCI TFPI, TFPI2, TNNI3 NPSR1 4605/4885SLC1A3 3387/4885SLC1A2 4192/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 NPSR1 370/4885SLC1A3 2018/4885SLC1A2 2622/4885

“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.

Send feedback