SCHEMBL3230489

SCHEMBL3230489

COc1cc(C)c(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
BDKRB1 P46663 8/20 0.41
KEAP1 Q14145 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1935333 0.87 MAPK1 (0.44) MAPK1KMT2APKML3MBTL1GLA
SCHEMBL12012193 0.83 ALDH1A1 (0.52) MAPK1KMT2APKML3MBTL1GLA
SCHEMBL3237884 0.83 USP2 (0.41) KMT2AMAPTBDKRB1ALDH1A1
SCHEMBL2236762 0.82 MAPK1 (0.50) MAPK1KMT2APKML3MBTL1GLA
SCHEMBL3443096 0.82 KEAP1 (0.49) MAPK1KMT2AL3MBTL1BDKRB1KEAP1
SCHEMBL3440259 0.81 PKM (0.49) MAPK1KMT2APKML3MBTL1GLA
SCHEMBL12010517 0.81 PKM (0.51) MAPK1KMT2APKML3MBTL1GLA
SCHEMBL2237548 0.80 MAPK1 (0.47) MAPK1KMT2APKMBDKRB1
SCHEMBL15514172 0.79 KMT2A (0.43) MAPK1KMT2APKML3MBTL1GLA
SCHEMBL1935336 0.79 BDKRB1 (0.41) MAPK1KMT2APKMBDKRB1

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 2 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
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 (1 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 1859/4885PKM 1146/4885

“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.