SCHEMBL8249097

SCHEMBL8249097

CC(C)CC(N[C@@H](Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.70
ACE P12821 3/20 0.70
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 8/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
PSMB5 P28074 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FNTA P49354 1/20 0.37
PGGT1B P53609 1/20 0.37
CTSL P07711 1/20 0.37
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
SCHEMBL1659753 1.00 ACE2 (0.70) ACE2ACECYP11B1CYP11B2TP53
SCHEMBL8248312 0.91 ACE2 (0.71) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL1690948 0.91 ACE2 (0.71) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL5870040 0.90 ACE2 (0.73) ACE2ACECYP11B1CYP11B2TP53
SCHEMBL8254645 0.90 ACE2 (0.73) ACE2ACECYP11B1CYP11B2TP53
SCHEMBL1690909 0.89 ACE2 (0.67) ACE2ACECYP11B1CYP11B2TP53
SCHEMBL8249949 0.89 ACE2 (0.67) ACE2ACECYP11B1CYP11B2TP53
SCHEMBL5869930 0.89 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8254851 0.89 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1658960 0.88 ACE2 (0.82) 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.