SCHEMBL6063191

SCHEMBL6063191

NC(=O)[C@@H]1CS[C@@H]2C[C@@H](NC(=O)O)C(=O)N21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.41
ACE P12821 4/20 0.39
F2 P00734 6/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL6062543 1.00 PREP (0.41) PREPACEF2F10PLG
SCHEMBL6062550 1.00 PREP (0.41) PREPACEF2F10PLG
SCHEMBL8294395 0.80 PREP (0.41) PREPF2F10PRSS1
SCHEMBL8270263 0.80 PREP (0.41) PREPF2F10PRSS1
SCHEMBL2981812 0.80 PREP (0.41) PREPF2F10PRSS1
SCHEMBL30008738 0.77 CASP3 (0.41) ACEF2F10PLGPRSS1
SCHEMBL6062493 0.77 PREP (0.64) PREPDPP4
SCHEMBL6062491 0.77 PREP (0.64) PREPDPP4
SCHEMBL6063678 0.77 PREP (0.64) PREPDPP4
SCHEMBL12495203 0.77 ACE (0.53) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008957-B2 Bicyclic cyanoheterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-07 US disclosed
US-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-17 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-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments CYP11B2, GOT2, CYP11B1 PREP 1516/4885ACE 371/4885F2 873/4885

“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.