SCHEMBL17813732

SCHEMBL17813732

CC(C)C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGB P11216 1/20 0.69
ECE1 P42892 6/20 0.67
ERAP2 Q6P179 4/20 0.66
ANPEP P15144 3/20 0.66
ERAP1 Q9NZ08 3/20 0.66
ACE P12821 2/20 0.63
IL1RN P18510 2/20 0.58
LNPEP Q9UIQ6 1/20 0.58

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
SCHEMBL7327655 1.00 PYGB (0.69) PYGBECE1ERAP2ANPEPERAP1
SCHEMBL7321746 0.90 LTA4H (0.63) ECE1ERAP2ANPEPERAP1ACE
SCHEMBL7306489 0.89 ERAP2 (0.68) PYGBECE1ERAP2ANPEPERAP1
SCHEMBL7321552 0.89 ACE (0.67) ECE1ERAP2ANPEPERAP1ACE
SCHEMBL7315009 0.87 ERAP2 (0.64) PYGBECE1ERAP2ANPEPERAP1
SCHEMBL12433272 0.85 GHSR (0.59) ECE1ERAP2ANPEPERAP1ACE
SCHEMBL12511244 0.85 GHSR (0.59) ECE1ERAP2ANPEPERAP1ACE
SCHEMBL13853026 0.85 GHSR (0.59) ECE1ERAP2ANPEPERAP1ACE
SCHEMBL29376293 0.85 ACE (0.61) ECE1ERAP2ANPEPERAP1ACE
SCHEMBL12433274 0.85 GHSR (0.59) ECE1ERAP2ANPEPERAP1ACE

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-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 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-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 PYGB 928/4885ECE1 3659/4885ERAP2 1781/4885

“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.