SCHEMBL4524472

SCHEMBL4524472

Cc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)C2CC(=O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 4/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4524747 1.00 BDKRB1 (0.40) BDKRB1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL14307677 0.90 BDKRB1 (0.40) BDKRB1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL4508717 0.87 ALDH1A1 (0.48) BDKRB1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL13936511 0.83 BDKRB1 (0.49) BDKRB1KMT2AMEN1EPHX2
SCHEMBL4519833 0.83 BDKRB1 (0.49) BDKRB1KMT2AMEN1EPHX2
SCHEMBL4516397 0.83 BDKRB1 (0.52) BDKRB1ALDH1A1MAPT
SCHEMBL13936505 0.83 BDKRB1 (0.42) BDKRB1KMT2AMEN1ALDH1A1EPHX2
SCHEMBL4521979 0.83 BDKRB1 (0.42) BDKRB1KMT2AMEN1ALDH1A1EPHX2
SCHEMBL27638749 0.77 KMT2A (0.36) BDKRB1KMT2AMEN1MAPK1ALDH1A1
SCHEMBL14117300 0.77 BDKRB1 (0.55) BDKRB1KMT2AMEN1ALDH1A1EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
CN-1849121-A Piperazine derivatives as bradyknin antagonist AMGEN INC (US) 2006-10-18 CN disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS BDKRB1 259/4885KMT2A 2982/4885MEN1 4726/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE BDKRB1 533/4885KMT2A 3615/4885MEN1 3223/4885

“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.