SCHEMBL3237884

SCHEMBL3237884

COc1cc(C)c(S(=O)(=O)N(CC(=O)NNC(=O)C(=O)O)C2CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.38
BDKRB1 P46663 13/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1936191 0.89 KMT2A (0.45) USP2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2236993 0.84 USP2 (0.43) USP2MAPTKMT2AMEN1ALDH1A1
SCHEMBL937908 0.84 MEN1 (0.48) USP2MAPTKMT2AMEN1BDKRB1
SCHEMBL3230489 0.83 MAPK1 (0.46) MAPTKMT2AALDH1A1BDKRB1
SCHEMBL1936190 0.83 MEN1 (0.45) USP2MAPTKMT2AMEN1BDKRB1
SCHEMBL1936194 0.81 MEN1 (0.42) USP2MAPTKMT2AMEN1BDKRB1
SCHEMBL938115 0.78 MEN1 (0.51) USP2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2236591 0.77 MEN1 (0.41) USP2MAPTKMT2AMEN1BDKRB1
SCHEMBL1936197 0.76 MEN1 (0.46) USP2MAPTKMT2AMEN1BDKRB1
SCHEMBL2205403 0.75 BDKRB1 (0.47) KMT2AMEN1BDKRB1

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 USP2 4171/4885MAPT 2733/4885KMT2A 1859/4885

“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.