SCHEMBL8249249

SCHEMBL8249249

CC(C)CC(N[C@@H](Cc1cncn1COCc1ccccc1)C(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.54
ACE P12821 3/20 0.54
PLK1 P53350 3/20 0.39
PLK3 Q9H4B4 2/20 0.39
PLK2 Q9NYY3 2/20 0.39
LTA4H P09960 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MME P08473 2/20 0.38

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
SCHEMBL7222066 1.00 ACE2 (0.54) ACE2ACEPLK1PLK3PLK2
SCHEMBL8249276 0.94 ACE2 (0.60) ACE2ACELTA4HCYP11B1CYP11B2
SCHEMBL1658524 0.94 ACE2 (0.60) ACE2ACELTA4HCYP11B1CYP11B2
SCHEMBL8255378 0.87 ACE2 (0.50) ACE2ACE
SCHEMBL5869378 0.87 ACE2 (0.50) ACE2ACE
SCHEMBL22850762 0.83 PLK1 (0.47) ACE2PLK1PLK3PLK2CYP11B1
SCHEMBL5870208 0.81 ACE2 (0.78) ACE2ACELTA4HCYP11B1CYP11B2
SCHEMBL8248569 0.81 ACE2 (0.78) ACE2ACELTA4HCYP11B1CYP11B2
SCHEMBL22850478 0.79 PLK1 (0.51) PLK1PLK3PLK2
SCHEMBL1690980 0.79 ACE2 (0.63) ACE2ACEPLK1PLK3PLK2

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 1/4885PLK1 1578/4885

“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.