SCHEMBL6927461

SCHEMBL6927461

CC(C)CC(N[C@@H](Cc1csc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.48
ACE P12821 3/20 0.48
GRN P28799 2/20 0.47
SORT1 Q99523 2/20 0.47
SHMT1 P34896 9/20 0.42
SHMT2 P34897 4/20 0.42
TLR7 Q9NYK1 1/20 0.38
CTSK P43235 1/20 0.37

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
SCHEMBL5869503 1.00 ACE2 (0.48) ACE2ACEGRNSORT1SHMT1
SCHEMBL5869952 1.00 ACE2 (0.48) ACE2ACEGRNSORT1SHMT1
SCHEMBL5869959 1.00 ACE2 (0.48) ACE2ACEGRNSORT1SHMT1
SCHEMBL8430704 0.89 SHMT1 (0.39) ACE2ACEGRNSORT1SHMT1
SCHEMBL5869777 0.88 SHMT1 (0.41) ACE2ACESHMT1SHMT2CTSK
SCHEMBL1690993 0.86 KDM4E (0.50) SHMT1SHMT2CTSK
SCHEMBL8249164 0.86 KDM4E (0.50) SHMT1SHMT2CTSK
SCHEMBL5869895 0.86 SHMT1 (0.45) ACE2ACEGRNSORT1SHMT1
SCHEMBL5869890 0.86 SHMT1 (0.45) ACE2ACEGRNSORT1SHMT1
SCHEMBL5869889 0.86 SHMT1 (0.45) ACE2ACEGRNSORT1SHMT1

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.