SCHEMBL765806

SCHEMBL765806

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cnc(SC)nc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.43
EPHX2 P34913 7/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
P2RX7 Q99572 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
LMNA P02545 1/20 0.37
HPGDS O60760 1/20 0.36
STAMBP O95630 1/20 0.36
COPS5 Q92905 1/20 0.36
PPARG P37231 3/20 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
SCHEMBL764435 0.90 BDKRB1 (0.45) BDKRB1EPHX2BCHEACHEP2RX7
SCHEMBL764412 0.88 BDKRB1 (0.53) BDKRB1EPHX2P2RX7PTPN7DUSP3
SCHEMBL2542157 0.88 BDKRB1 (0.43) BDKRB1EPHX2BCHEACHEP2RX7
SCHEMBL765559 0.88 BDKRB1 (0.43) BDKRB1EPHX2BCHEACHEP2RX7
SCHEMBL764460 0.88 BDKRB1 (0.44) BDKRB1EPHX2BCHEACHEP2RX7
SCHEMBL10121348 0.88 BDKRB1 (0.44) BDKRB1EPHX2BCHEACHEP2RX7
SCHEMBL764447 0.87 BDKRB1 (0.42) BDKRB1EPHX2BCHEACHEP2RX7
SCHEMBL12238931 0.86 EPHX2 (0.53) BDKRB1EPHX2PTPN7DUSP3PPARG
SCHEMBL765643 0.85 BDKRB1 (0.45) BDKRB1EPHX2P2RX7PPARG
SCHEMBL765198 0.85 BDKRB1 (0.42) BDKRB1EPHX2P2RX7PPARG

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 BDKRB1 1/4885EPHX2 872/4885BCHE 726/4885

“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.