SCHEMBL12347017

SCHEMBL12347017

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3nnc(CN4CCCC4)s3)co2)C2CC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.35
ELANE P08246 2/20 0.34
AVPR1B P47901 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GSK3B P49841 2/20 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
Trifluoroacetic Acid SCHEMBL2238651 0.96 BDKRB1 (0.33) BDKRB1ELANEAVPR1BGSK3B
SCHEMBL12347020 0.91 BDKRB1 (0.37) BDKRB1ELANEHRH3
SCHEMBL2237526 0.89 AVPR1B (0.39) BDKRB1ELANEAVPR1B
SCHEMBL12347018 0.89 AVPR1B (0.39) BDKRB1ELANEAVPR1B
SCHEMBL2239968 0.88 EP300 (0.41) BDKRB1ELANEAVPR1B
Trifluoroacetic Acid SCHEMBL2240610 0.87 BDKRB1 (0.35) BDKRB1HRH3GSK3B
SCHEMBL2237655 0.86 MCHR1 (0.37) BDKRB1ELANEAVPR1B
Trifluoroacetic Acid SCHEMBL2236289 0.85 AVPR1B (0.36) BDKRB1ELANEAVPR1BGSK3B
SCHEMBL2237992 0.84 BDKRB1 (0.35) BDKRB1AVPR1B
SCHEMBL2238987 0.84 AVPR1B (0.34) BDKRB1ELANEAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885ELANE 728/4885AVPR1B 4/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885ELANE 699/4885AVPR1B 4/4885

“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.