SCHEMBL5917002

SCHEMBL5917002

CCC(C)[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)O)C3

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GZMB P10144 14/20 0.77
ACE P12821 6/20 0.76
ACE2 Q9BYF1 6/20 0.76
MME P08473 3/20 0.67
CASP3 P42574 1/20 0.59
CASP8 Q14790 1/20 0.59

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
SCHEMBL5917007 1.00 GZMB (0.77) GZMBACEACE2MMECASP3
SCHEMBL22687320 0.92 GZMB (0.69) GZMBACEACE2MMECASP3
SCHEMBL21186451 0.91 GZMB (0.77) GZMBACEACE2CASP3CASP8
SCHEMBL22687177 0.91 GZMB (0.79) GZMBACEACE2MME
SCHEMBL22687113 0.91 ACE (0.72) GZMBACEACE2MME
SCHEMBL22687188 0.91 ACE (0.72) GZMBACEACE2MME
SCHEMBL22687186 0.91 ACE (0.72) GZMBACEACE2MME
SCHEMBL22687344 0.91 ACE (0.72) GZMBACEACE2MME
SCHEMBL5917192 0.89 GZMB (0.73) GZMBACEACE2MME
SCHEMBL5917194 0.89 GZMB (0.73) GZMBACEACE2MME

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-20060019945-A1 Granzyme b inhibitors CHAPMAN KEVIN T 2006-01-26 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-20060019945-A1 Granzyme b inhibitors GZMB, CTSB, SERPINB1 GZMB 1/4885ACE 711/4885ACE2 913/4885

“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.