SCHEMBL8249052

SCHEMBL8249052

CC(C)CC(N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
ACE2 Q9BYF1 4/20 0.34
ACE P12821 3/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP3 P08254 1/20 0.34
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33

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
SCHEMBL5870390 1.00 MME (0.36) MMEACE2ACEMMP1MMP9
SCHEMBL5870160 0.88 ACE2 (0.41) MMEACE2ACEGRNSORT1
SCHEMBL8248643 0.88 ACE2 (0.41) MMEACE2ACEGRNSORT1
SCHEMBL8249119 0.88 ACE2 (0.41) MMEACE2ACEGRNSORT1
SCHEMBL7326854 0.87 MME (0.44) MMEGRNSORT1
SCHEMBL8249271 0.83 ACE2 (0.36) MMEACE2ACEMMP1GRN
SCHEMBL7228586 0.83 ACE2 (0.36) MMEACE2ACEMMP1GRN
SCHEMBL8249163 0.82 ELANE (0.38) MMEACE2ACEGRNSORT1
SCHEMBL5870081 0.82 ELANE (0.38) MMEACE2ACEGRNSORT1
SCHEMBL31257976 0.82 EGFR (0.40)

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 MME 11/4885ACE2 2/4885ACE 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.