SCHEMBL8249166

SCHEMBL8249166

Cc1cc(C[C@H](NC(CC(C)C)C(=O)O)C(=O)O)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.42
ACE P12821 3/20 0.42
GRN P28799 3/20 0.40
SORT1 Q99523 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PSMB8 P28062 6/20 0.40
PSMB5 P28074 6/20 0.40
PSMB11 A5LHX3 5/20 0.40
PSMA7 O14818 5/20 0.40
PSMB1 P20618 5/20 0.40
PSMA1 P25786 5/20 0.40
PSMA2 P25787 5/20 0.40
PSMA3 P25788 5/20 0.40
PSMA4 P25789 5/20 0.40
PSMB9 P28065 5/20 0.40
PSMA5 P28066 5/20 0.40
PSMB4 P28070 5/20 0.40
PSMB6 P28072 5/20 0.40
PSMB10 P40306 5/20 0.40
PSMB3 P49720 5/20 0.40

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
SCHEMBL5870057 1.00 ACE2 (0.42) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5869700 0.83 NOTUM (0.50) ALDH1A1CYP2C19MAPK1
SCHEMBL8249254 0.83 NOTUM (0.50) ALDH1A1CYP2C19MAPK1
SCHEMBL5869502 0.79 NOTUM (0.50) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL8248791 0.79 NOTUM (0.50) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL27133930 0.78 PSMB8 (0.43) ALDH1A1PSMB8PSMB5PSMB11PSMA7
SCHEMBL26965365 0.78 PSMB8 (0.43) ALDH1A1PSMB8PSMB5PSMB11PSMA7
SCHEMBL8248796 0.78 NPC1 (0.54) ACE2GRNSORT1ALDH1A1CYP2C19
SCHEMBL5869939 0.78 NPC1 (0.54) ACE2GRNSORT1ALDH1A1CYP2C19
SCHEMBL5869392 0.77 HPGD (0.50) ACE2ACEGRNSORT1ALDH1A1

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
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.