SCHEMBL5869540

SCHEMBL5869540

CC(C)C[C@H](N[C@@H](Cc1ccc(-c2ccccn2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.54
ACE P12821 6/20 0.54
CPA1 P15085 5/20 0.54
ACE2 Q9BYF1 5/20 0.54
FOLH1 Q04609 1/20 0.46
CTSL P07711 1/20 0.46
CTSK P43235 1/20 0.46
SYK P43405 1/20 0.45
LTA4H P09960 1/20 0.44
PSMB5 P28074 1/20 0.43

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
SCHEMBL5869548 1.00 MME (0.54) MMEACECPA1ACE2FOLH1
SCHEMBL5869538 1.00 MME (0.54) MMEACECPA1ACE2FOLH1
SCHEMBL8248574 0.86 MME (0.65) MMEACECPA1ACE2FOLH1
SCHEMBL5869588 0.84 ITGB3 (0.49) MMEACECPA1ACE2FOLH1
SCHEMBL5869925 0.84 ITGB3 (0.49) MMEACECPA1ACE2FOLH1
SCHEMBL5869929 0.84 ITGB3 (0.49) MMEACECPA1ACE2FOLH1
SCHEMBL5869347 0.82 ACE2 (0.47) MMEACECPA1ACE2FOLH1
SCHEMBL5869816 0.82 ACE2 (0.47) MMEACECPA1ACE2FOLH1
SCHEMBL5869824 0.82 ACE2 (0.47) MMEACECPA1ACE2FOLH1
SCHEMBL8257978 0.82 MME (0.62) MMEACECPA1ACE2FOLH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
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
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 1/4885CPA1 346/4885

“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.