SCHEMBL2239341

SCHEMBL2239341

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(O)C4)cc3)co2)C2CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.37
EP300 Q09472 1/20 0.35
HIF1A Q16665 1/20 0.35
MCHR1 Q99705 1/20 0.33
AVPR1B P47901 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK1 Q15118 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
KLKB1 P03952 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL303450 0.96 BDKRB1 (0.35) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2240327 0.96 BDKRB1 (0.37) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2236733 0.95 MCHR1 (0.36) BDKRB1EP300HIF1AMCHR1PDK1
SCHEMBL2238132 0.94 EP300 (0.36) BDKRB1EP300HIF1AMCHR1
SCHEMBL2238191 0.93 BDKRB1 (0.37) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2239439 0.93 EP300 (0.38) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2239968 0.92 EP300 (0.41) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2238215 0.92 BDKRB1 (0.42) BDKRB1
SCHEMBL2235220 0.91 EP300 (0.37) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2239214 0.90 PDK1 (0.38) BDKRB1EP300HIF1AMCHR1AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885EP300 2750/4885HIF1A 545/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885EP300 2584/4885HIF1A 671/4885

“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.