SCHEMBL2238987

SCHEMBL2238987

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CCCC4)nc3)co2)C2CC2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.34
MCHR1 Q99705 6/20 0.34
BDKRB1 P46663 4/20 0.34
KMT2A Q03164 2/20 0.34
KCNH2 Q12809 1/20 0.34
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
ELANE P08246 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL2239968 0.92 EP300 (0.41) AVPR1BMCHR1BDKRB1KMT2AEP300
SCHEMBL2237655 0.88 MCHR1 (0.37) AVPR1BMCHR1BDKRB1KMT2AEP300
SCHEMBL2239439 0.86 EP300 (0.38) AVPR1BMCHR1BDKRB1EP300HIF1A
SCHEMBL12347018 0.85 AVPR1B (0.39) AVPR1BBDKRB1ELANENPC1RAB9A
SCHEMBL2239323 0.85 EP300 (0.38) AVPR1BMCHR1BDKRB1EP300HIF1A
SCHEMBL2238132 0.85 EP300 (0.36) MCHR1BDKRB1EP300HIF1A
SCHEMBL2239655 0.85 EP300 (0.36) AVPR1BMCHR1BDKRB1KMT2AEP300
SCHEMBL2237526 0.84 AVPR1B (0.39) AVPR1BBDKRB1ELANE
SCHEMBL12347017 0.84 BDKRB1 (0.35) AVPR1BBDKRB1ELANE
SCHEMBL2240327 0.84 BDKRB1 (0.37) AVPR1BMCHR1BDKRB1EP300HIF1A

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 AVPR1B 4/4885MCHR1 344/4885BDKRB1 1/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 AVPR1B 4/4885MCHR1 366/4885BDKRB1 1/4885

“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.