SCHEMBL8250050

SCHEMBL8250050

CC(=O)[C@H](CC(C)C)N[C@@H](Cc1ccccc1-c1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.45
SORT1 Q99523 3/20 0.45
ACE2 Q9BYF1 5/20 0.44
ACE P12821 4/20 0.44
MME P08473 2/20 0.43
CPA1 P15085 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.41
MAPK1 P28482 1/20 0.41
APP P05067 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38

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
SCHEMBL5869922 0.94 GRN (0.50) GRNSORT1ACE2ACEMME
SCHEMBL5870126 0.94 GRN (0.50) GRNSORT1ACE2ACEMME
SCHEMBL5869280 0.76 ACE2 (0.48) GRNSORT1ACE2ACEMME
SCHEMBL8250493 0.76 ACE2 (0.48) GRNSORT1ACE2ACEMME
SCHEMBL5869346 0.74 ACE2 (0.52) GRNSORT1ACE2ACEMME
SCHEMBL8256178 0.74 ACE2 (0.52) GRNSORT1ACE2ACEMME
SCHEMBL5869640 0.74 ACE2 (0.54) GRNSORT1ACE2ACEMME
SCHEMBL5869645 0.74 ACE2 (0.54) GRNSORT1ACE2ACEMME
SCHEMBL5869637 0.74 ACE2 (0.54) GRNSORT1ACE2ACEMME
SCHEMBL7424962 0.73 GRN (0.47) GRNSORT1MMELTA4HMAPK1

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 GRN 3026/4885SORT1 3962/4885ACE2 2/4885

“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.