SCHEMBL2238101

SCHEMBL2238101

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CCC(C(=O)N(C)C)C4)cc3)co2)C2CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BDKRB1 P46663 3/20 0.35
EP300 Q09472 1/20 0.34
HIF1A Q16665 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
WNK1 Q9H4A3 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 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
SCHEMBL2237407 0.93 BDKRB1 (0.39) LMNAPDCD1CD274HTTPKM
SCHEMBL2235220 0.91 EP300 (0.37) LMNABDKRB1EP300HIF1AMCHR1
SCHEMBL2236733 0.91 MCHR1 (0.36) BDKRB1EP300HIF1AMCHR1WNK1
SCHEMBL2239214 0.90 PDK1 (0.38) LMNAPDCD1CD274BDKRB1EP300
SCHEMBL2239439 0.90 EP300 (0.38) BDKRB1EP300HIF1AMCHR1WNK1
SCHEMBL2239968 0.90 EP300 (0.41) LMNABDKRB1EP300HIF1AMCHR1
SCHEMBL2239323 0.89 EP300 (0.38) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2240327 0.89 BDKRB1 (0.37) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2239341 0.89 BDKRB1 (0.37) BDKRB1EP300HIF1AMCHR1AVPR1B
SCHEMBL2239655 0.88 EP300 (0.36) LMNAHTTPKMSMN1; SMN2BDKRB1

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 LMNA 594/4885PDCD1 3407/4885CD274 2199/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LMNA 704/4885PDCD1 3659/4885CD274 2463/4885

“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.