SCHEMBL755091

SCHEMBL755091

CCOC(=O)CC(=O)NC1(C(=O)NCc2ccc(Oc3ccc(OC)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.41
PPARG P37231 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
PTPN7 P35236 2/20 0.38
DUSP3 P51452 2/20 0.38
PPID Q08752 2/20 0.38
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPIG Q13427 1/20 0.38
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 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
SCHEMBL10121227 0.90 EPHX2 (0.44) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL758301 0.89 EPHX2 (0.41) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL764494 0.89 L3MBTL1 (0.39) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL10121349 0.88 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3P2RX7
SCHEMBL765557 0.88 L3MBTL1 (0.40) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL764477 0.88 L3MBTL1 (0.41) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL765833 0.88 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3P2RX7
SCHEMBL12238928 0.87 L3MBTL1 (0.41) EPHX2L3MBTL1PTPN7DUSP3P2RX7
SCHEMBL765182 0.87 L3MBTL1 (0.41) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL10121393 0.87 L3MBTL1 (0.41) EPHX2L3MBTL1PTPN7DUSP3P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (1 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB EPHX2 872/4885PPARG 4193/4885L3MBTL1 2516/4885

“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.