SCHEMBL8255233

SCHEMBL8255233

CC(C)CC(N[C@H](CCc1ccccc1)CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
MME P08473 3/20 0.47
ACE P12821 2/20 0.45
ANPEP P15144 1/20 0.45
LTA4H P09960 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL5869885 1.00 MMP3 (0.47) MMP3MMEACEANPEPLTA4H
SCHEMBL8249153 0.84 MME (0.62) MMP3MMEACEANPEPLTA4H
SCHEMBL8248814 0.84 MME (0.62) MMP3MMEACEANPEPLTA4H
SCHEMBL8248719 0.84 MME (0.62) MMP3MMEACEANPEPLTA4H
SCHEMBL8248581 0.84 MME (0.62) MMP3MMEACEANPEPLTA4H
SCHEMBL5869766 0.84 MME (0.62) MMP3MMEACEANPEPLTA4H
SCHEMBL9180905 0.82 ACE (0.52) MMEACEMMP2MMP12MMP13
SCHEMBL4878546 0.79 SIGMAR1 (0.51) MMP3MMP2MMP12MMP13TSHR
SCHEMBL4878542 0.79 SIGMAR1 (0.51) MMP3MMP2MMP12MMP13TSHR
SCHEMBL4888131 0.79 SIGMAR1 (0.51) MMP3MMP2MMP12MMP13TSHR

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 MMP3 379/4885MME 11/4885ACE 1/4885

“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.