SCHEMBL8248643

SCHEMBL8248643

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.41
ACE P12821 3/20 0.41
GRN P28799 4/20 0.39
SORT1 Q99523 4/20 0.39
ALDH1A1 P00352 2/20 0.38
MME P08473 2/20 0.38
FOLH1 Q04609 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL8249119 1.00 ACE2 (0.41) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5870160 1.00 ACE2 (0.41) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL7228586 0.92 ACE2 (0.36) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL8249271 0.92 ACE2 (0.36) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5870081 0.91 ELANE (0.38) ACE2ACEGRNSORT1MME
SCHEMBL7326854 0.91 MME (0.44) GRNSORT1ALDH1A1MMEFOLH1
SCHEMBL8249163 0.91 ELANE (0.38) ACE2ACEGRNSORT1MME
SCHEMBL30628183 0.89 GRN (0.39) GRNSORT1ALDH1A1MMEFOLH1
SCHEMBL8249052 0.88 MME (0.36) ACE2ACEGRNSORT1MME
SCHEMBL5870394 0.88 MMP1 (0.35) ACE2ACEGRNSORT1ALDH1A1

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 1/4885GRN 3026/4885

“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.