SCHEMBL4169800

SCHEMBL4169800

CC1=CN(S(=O)(=O)c2ccc(C)cc2)C(CC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
BDKRB1 P46663 18/20 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
SCHEMBL4169803 1.00 ALDH1A1 (0.44) ALDH1A1POLBMAPTBDKRB1
SCHEMBL4177146 0.84 BDKRB1 (0.46) ALDH1A1POLBMAPTBDKRB1
SCHEMBL4177150 0.84 BDKRB1 (0.46) ALDH1A1POLBMAPTBDKRB1
SCHEMBL4181279 0.83 BDKRB1 (0.60) BDKRB1
SCHEMBL4181282 0.83 BDKRB1 (0.60) BDKRB1
SCHEMBL4526154 0.75 ALDH1A1 (0.77) ALDH1A1POLBMAPTBDKRB1
SCHEMBL4526157 0.75 ALDH1A1 (0.77) ALDH1A1POLBMAPTBDKRB1
SCHEMBL3533258 0.65 BDKRB1 (0.67) BDKRB1
SCHEMBL3533254 0.65 BDKRB1 (0.67) BDKRB1
SCHEMBL3535119 0.65 BDKRB1 (0.68) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 ALDH1A1 2655/4885POLB 4406/4885MAPT 1926/4885

“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.