SCHEMBL8430336

SCHEMBL8430336

CC(C)C[C@@H](C=O)N[C@@H](Cc1nc(Cc2cc(Cl)cc(Cl)c2)co1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.42
ACE P12821 4/20 0.42
GRN P28799 5/20 0.38
SORT1 Q99523 5/20 0.38
NPPA P01160 2/20 0.37
MME P08473 2/20 0.37
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL8430343 0.89 NPPA (0.38) ACE2ACENPPAMMEALDH1A1
SCHEMBL8249951 0.89 ACE2 (0.53) ACE2ACEGRNSORT1NPPA
SCHEMBL5869871 0.89 ACE2 (0.53) ACE2ACEGRNSORT1NPPA
SCHEMBL8430331 0.87 ACE (0.44) ACENPPAMME
SCHEMBL8430517 0.85 GRN (0.39) ACE2ACEGRNSORT1NPPA
SCHEMBL5869619 0.82 ACE2 (0.52) ACE2ACEGRNSORT1NPPA
SCHEMBL8248328 0.82 ACE2 (0.52) ACE2ACEGRNSORT1NPPA
SCHEMBL8430501 0.81 GRN (0.39) ACE2ACEGRNSORT1
SCHEMBL8430008 0.80 ACE2 (0.42) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL8437068 0.80 ACE (0.43) ACENPPAMME

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ACE2 2/4885ACE 1/4885GRN 3026/4885

“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.