SCHEMBL8429967

SCHEMBL8429967

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.66
ACE P12821 3/20 0.66
CYP11B1 P15538 9/20 0.35
CYP11B2 P19099 9/20 0.35
PPID Q08752 1/20 0.32
FOLH1 Q04609 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL8429976 0.96 ACE2 (0.66) ACE2ACECYP11B1CYP11B2PPID
SCHEMBL8429969 0.95 ACE2 (0.58) ACE2ACECYP11B1CYP11B2PPID
SCHEMBL8430323 0.94 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8429971 0.91 ACE2 (0.61) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8430312 0.89 ACE2 (0.66) ACE2ACECYP11B1CYP11B2PPID
SCHEMBL5869908 0.89 ACE2 (0.84) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869960 0.89 ACE2 (0.84) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7534889 0.89 ACE2 (0.84) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869904 0.89 ACE2 (0.84) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8437192 0.88 ACE2 (0.60) 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.