SCHEMBL4519833

SCHEMBL4519833

Cc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)NC2CCCCCC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.49
EPHX2 P34913 4/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 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
SCHEMBL13936511 1.00 BDKRB1 (0.49) BDKRB1EPHX2MEN1KMT2ATAS1R3
SCHEMBL14272069 0.83 EPHX2 (0.54) EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL13955238 0.83 BDKRB1 (0.47) BDKRB1EPHX2MEN1KMT2ATAS1R3
SCHEMBL4524472 0.83 BDKRB1 (0.40) BDKRB1EPHX2MEN1KMT2A
SCHEMBL4524747 0.83 BDKRB1 (0.40) BDKRB1EPHX2MEN1KMT2A
SCHEMBL14307677 0.82 BDKRB1 (0.40) BDKRB1EPHX2MEN1KMT2A
SCHEMBL4532934 0.81 BDKRB1 (0.61) BDKRB1EPHX2MEN1KMT2A
SCHEMBL4517604 0.81 BDKRB1 (0.61) BDKRB1EPHX2MEN1KMT2A
SCHEMBL14117300 0.81 BDKRB1 (0.55) BDKRB1EPHX2MEN1KMT2A
SCHEMBL13936513 0.81 BDKRB1 (0.55) BDKRB1EPHX2MEN1KMT2A

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 7 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
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 259/4885EPHX2 372/4885MEN1 4726/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE BDKRB1 533/4885EPHX2 397/4885MEN1 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.