SCHEMBL2236591

SCHEMBL2236591

COc1cc(C)c(S(=O)(=O)N(CC(=N)NO)C2CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
BDKRB1 P46663 15/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
MMP3 P08254 1/20 0.35

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
SCHEMBL1936190 0.84 MEN1 (0.45) MEN1KMT2ABDKRB1USP2MAPT
SCHEMBL937908 0.83 MEN1 (0.48) MEN1KMT2ABDKRB1USP2MAPT
SCHEMBL2236833 0.81 MAPK1 (0.42) KMT2ABDKRB1
SCHEMBL2236993 0.81 USP2 (0.43) MEN1KMT2ABDKRB1USP2MAPT
SCHEMBL938115 0.80 MEN1 (0.51) MEN1KMT2AL3MBTL1BDKRB1USP2
SCHEMBL2205403 0.79 BDKRB1 (0.47) MEN1KMT2ABDKRB1
SCHEMBL2236595 0.79 MEN1 (0.41) MEN1KMT2ABDKRB1USP2MAPT
SCHEMBL2236584 0.79 MEN1 (0.41) MEN1KMT2ABDKRB1USP2MAPT
SCHEMBL12342602 0.78 BDKRB1 (0.42) BDKRB1
SCHEMBL3237884 0.77 USP2 (0.41) MEN1KMT2ABDKRB1USP2MAPT

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 MEN1 231/4885KMT2A 1859/4885L3MBTL1 2404/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MEN1 349/4885KMT2A 2057/4885L3MBTL1 2744/4885

“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.