SCHEMBL8437906

SCHEMBL8437906

CC(C)CC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.75
ACE P12821 3/20 0.75
GRN P28799 5/20 0.37
SORT1 Q99523 5/20 0.37
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
FNTA P49354 4/20 0.31
FNTB P49356 4/20 0.31
PGGT1B P53609 1/20 0.30

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
SCHEMBL8258910 1.00 ACE2 (0.75) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8256618 0.97 ACE2 (0.75) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8255521 0.96 ACE2 (0.68) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8435740 0.96 ACE2 (0.68) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8436625 0.91 ACE2 (0.67) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8437413 0.90 ACE2 (0.60) ACE2ACECYP11B1CYP11B2
SCHEMBL8255256 0.90 ACE2 (0.75) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8430319 0.90 ACE2 (0.75) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8436632 0.90 ACE2 (0.60) ACE2ACECYP11B1CYP11B2
SCHEMBL5869894 0.88 ACE2 (0.81) ACE2ACEGRNSORT1CYP11B1

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.