SCHEMBL764478

SCHEMBL764478

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CCC(=O)O)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 6/20 0.40
PPARG P37231 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 0.39
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
FFAR1 O14842 1/20 0.38
GAA P10253 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
SCHEMBL765833 0.93 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3KMT2A
SCHEMBL764439 0.93 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3KMT2A
SCHEMBL765547 0.93 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3KMT2A
SCHEMBL758301 0.93 EPHX2 (0.41) PPARAEPHX2PPARGL3MBTL1PTPN7
SCHEMBL765102 0.92 L3MBTL1 (0.39) EPHX2L3MBTL1PTPN7DUSP3KMT2A
SCHEMBL764502 0.90 L3MBTL1 (0.38) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL764479 0.90 CNR1 (0.41) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL10121227 0.90 EPHX2 (0.44) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL764477 0.90 L3MBTL1 (0.41) EPHX2PPARGL3MBTL1PTPN7DUSP3
SCHEMBL10121546 0.89 L3MBTL1 (0.39) LMNAEPHX2L3MBTL1PTPN7DUSP3

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 6 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
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
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 PPARA 4222/4885LMNA 1305/4885EPHX2 872/4885

“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.