SCHEMBL8248574

SCHEMBL8248574

CC(C)CC(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.65
ACE P12821 12/20 0.65
ACE2 Q9BYF1 9/20 0.65
CPA1 P15085 8/20 0.65
FOLH1 Q04609 1/20 0.56

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
SCHEMBL8255494 0.92 MME (0.62) MMEACEACE2CPA1FOLH1
SCHEMBL8258735 0.92 MME (0.62) MMEACEACE2CPA1FOLH1
SCHEMBL8257978 0.92 MME (0.62) MMEACEACE2CPA1FOLH1
SCHEMBL5869326 0.92 MME (0.62) MMEACEACE2CPA1FOLH1
SCHEMBL5869343 0.91 MME (0.55) MMEACEACE2CPA1FOLH1
SCHEMBL5869386 0.91 MME (0.55) MMEACEACE2CPA1FOLH1
SCHEMBL5869380 0.91 MME (0.55) MMEACEACE2CPA1FOLH1
SCHEMBL5869467 0.90 MME (0.54) MMEACEACE2CPA1FOLH1
SCHEMBL5869450 0.90 MME (0.54) MMEACEACE2CPA1FOLH1
SCHEMBL5869454 0.90 MME (0.54) MMEACEACE2CPA1FOLH1

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 MME 11/4885ACE 1/4885ACE2 2/4885

“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.