SCHEMBL4516397

SCHEMBL4516397

Cc1ccc(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.52
ALDH1A1 P00352 4/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 1/20 0.49
MMP2 P08253 3/20 0.43
ANPEP P15144 1/20 0.41

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
SCHEMBL5986044 0.90 BDKRB1 (0.51) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL5986046 0.90 BDKRB1 (0.51) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL4519076 0.87 ALDH1A1 (0.67) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL4523939 0.87 ALDH1A1 (0.67) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL4524747 0.83 BDKRB1 (0.40) BDKRB1ALDH1A1MAPT
SCHEMBL4524472 0.83 BDKRB1 (0.40) BDKRB1ALDH1A1MAPT
SCHEMBL3534971 0.79 ALDH1A1 (0.76) BDKRB1ALDH1A1POLBMAPT
SCHEMBL3534966 0.79 ALDH1A1 (0.76) BDKRB1ALDH1A1POLBMAPT
SCHEMBL14307677 0.73 BDKRB1 (0.40) BDKRB1ALDH1A1MAPT
SCHEMBL4177150 0.72 BDKRB1 (0.46) BDKRB1ALDH1A1POLBMAPT

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 1 patent. 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

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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS BDKRB1 259/4885ALDH1A1 184/4885POLB 1384/4885

“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.