SCHEMBL2236833

SCHEMBL2236833

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
BDKRB1 P46663 16/20 0.41
PKM P14618 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL2237548 0.82 MAPK1 (0.47) MAPK1KMT2ABDKRB1PKM
SCHEMBL2236591 0.81 MEN1 (0.41) KMT2ABDKRB1
SCHEMBL3443096 0.80 KEAP1 (0.49) MAPK1KMT2ABDKRB1
SCHEMBL12012193 0.80 ALDH1A1 (0.52) MAPK1KMT2ABDKRB1PKM
SCHEMBL11947907 0.79 BDKRB1 (0.46) MAPK1KMT2ABDKRB1
SCHEMBL3440414 0.79 BDKRB1 (0.46) MAPK1KMT2ABDKRB1
SCHEMBL2236762 0.78 MAPK1 (0.50) MAPK1KMT2ABDKRB1PKM
SCHEMBL12010517 0.77 PKM (0.51) MAPK1KMT2ABDKRB1PKM
SCHEMBL12012158 0.76 MAPK1 (0.43) MAPK1KMT2ABDKRB1PKM
SCHEMBL12010515 0.76 BDKRB1 (0.47) KMT2ABDKRB1

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