Sugi Predict

Sugi Predict / Compounds / SCHEMBL2939670

SCHEMBL2939670

SCHEMBL2939670

CCCC(F)OC(=O)NCc1cccc(C(CP(=O)(O)C(NS(=O)(=O)CCCc2ccccc2)C(C)C)C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ KDM4A O75164 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ REN P00797 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL2940407 0.91 PPARG (0.35) PPARGPPARAKDM4ACTSK
SCHEMBL2353066 0.86 GLS (0.39) CPB2MMP2MMP7MMP9MMP8
SCHEMBL6130863 0.84 ECE1 (0.37) —
SCHEMBL15679519 0.84 MMP2 (0.40) CPB2MMP2MMP7MMP9MMP8
SCHEMBL2357292 0.81 CPB2 (0.42) CPB2MMP2MMP7MMP9MMP8
SCHEMBL2350989 0.81 CPB2 (0.42) CPB2MMP2MMP7MMP9MMP8
SCHEMBL6130893 0.81 CPB2 (0.42) CPB2MMP2MMP7MMP9MMP8
SCHEMBL2356327 0.81 CPB2 (0.42) CPB2MMP2MMP7MMP9MMP8
SCHEMBL2349012 0.81 CPB2 (0.42) CPB2MMP2MMP7MMP9MMP8
SCHEMBL2351855 0.81 CPB2 (0.42) CPB2MMP2MMP7MMP9MMP8

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4472997-B2 — — 2010-06-02 — — JP 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
WO-2006113247-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-26 — — WO 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
EP-1874322-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-09 — — EP disclosed
EP-1817041-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-15 — — EP disclosed
WO-2006113247-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-26 — — WO 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