SCHEMBL2235494

SCHEMBL2235494

COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N(C)Cc3ccc(CN4CCC(N(C)C)C4)cc3)co2)C2CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.38
HIF1A Q16665 1/20 0.38
MCHR1 Q99705 2/20 0.38
BDKRB1 P46663 5/20 0.37
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
WNK1 Q9H4A3 1/20 0.34
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2238340 0.93 BDKRB1 (0.41) MCHR1BDKRB1HDAC1MEN1KMT2A
SCHEMBL2243708 0.93 MCHR1 (0.37) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2238151 0.92 BDKRB1 (0.36) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2238254 0.91 EP300 (0.39) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2237371 0.91 EP300 (0.41) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2240022 0.91 LMNA (0.38) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2235503 0.91 EP300 (0.38) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2240269 0.90 BDKRB1 (0.37) EP300HIF1AMCHR1BDKRB1MEN1
SCHEMBL2238443 0.90 EP300 (0.37) EP300HIF1AMCHR1BDKRB1KMT2A
SCHEMBL2238227 0.90 EP300 (0.37) EP300HIF1AMCHR1BDKRB1MEN1

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 EP300 2750/4885HIF1A 545/4885MCHR1 344/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 EP300 2584/4885HIF1A 671/4885MCHR1 366/4885

“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.