SCHEMBL8255994

SCHEMBL8255994

CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.79
ACE P12821 4/20 0.79
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
GRN P28799 3/20 0.39
SORT1 Q99523 3/20 0.39
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
LTA4H P09960 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36

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
Ore-1001 SCHEMBL9993284 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL9992978 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL5869286 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL9994114 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL5869293 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1691048 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL2223815 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1656029 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1691045 0.89 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL5870470 0.87 ACE2 (0.78) ACE2ACECYP11B1CYP11B2GRN

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 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.