SCHEMBL8436632

SCHEMBL8436632

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.60
ACE P12821 3/20 0.60
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32

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
SCHEMBL8437192 0.97 ACE2 (0.60) ACE2ACECYP11B1CYP11B2
SCHEMBL8437196 0.96 ACE2 (0.53) ACE2ACECYP11B1CYP11B2
SCHEMBL8436625 0.91 ACE2 (0.67) ACE2ACECYP11B1CYP11B2
SCHEMBL8437413 0.90 ACE2 (0.60) ACE2ACECYP11B1CYP11B2
SCHEMBL8430444 0.90 ACE2 (0.60) ACE2ACECYP11B1CYP11B2
SCHEMBL8437906 0.90 ACE2 (0.75) ACE2ACECYP11B1CYP11B2
SCHEMBL8258910 0.90 ACE2 (0.75) ACE2ACECYP11B1CYP11B2
SCHEMBL8429976 0.88 ACE2 (0.66) ACE2ACECYP11B1CYP11B2
SCHEMBL8430442 0.87 ACE2 (0.60) ACE2ACECYP11B1CYP11B2
SCHEMBL8256618 0.87 ACE2 (0.75) ACE2ACECYP11B1CYP11B2

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 1/4885CYP11B1 256/4885

“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.