SCHEMBL2236837

SCHEMBL2236837

COc1cc(C)c(S(=O)(=O)N(C)CC(N)=NO)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.41
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2236816 1.00 BDKRB1 (0.41) BDKRB1MAPK1KMT2AGAA
SCHEMBL3440414 0.85 BDKRB1 (0.46) BDKRB1MAPK1KMT2AGAA
SCHEMBL2236584 0.81 MEN1 (0.41) BDKRB1MAPK1KMT2A
SCHEMBL2236595 0.81 MEN1 (0.41) BDKRB1MAPK1KMT2A
SCHEMBL3443096 0.80 KEAP1 (0.49) BDKRB1MAPK1KMT2A
SCHEMBL12012193 0.80 ALDH1A1 (0.52) BDKRB1MAPK1KMT2AGAA
SCHEMBL11947907 0.79 BDKRB1 (0.46) BDKRB1MAPK1KMT2A
SCHEMBL2237548 0.79 MAPK1 (0.47) BDKRB1MAPK1KMT2A
SCHEMBL2236762 0.78 MAPK1 (0.50) BDKRB1MAPK1KMT2AGAA
SCHEMBL16612177 0.77 F2 (0.38) KMT2AGAA

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 3 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-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

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 1/4885MAPK1 625/4885KMT2A 1859/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885MAPK1 639/4885KMT2A 2057/4885

“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.