SCHEMBL8248702

SCHEMBL8248702

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 4/20 0.36
MME P08473 3/20 0.36
CPB2 Q96IY4 6/20 0.34
CPB1 P15086 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 2/20 0.31
ACE P12821 1/20 0.30

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
SCHEMBL8254490 1.00 MMEL1 (0.36) MMEL1MMECPB2CPB1SMN1; SMN2
SCHEMBL5869295 1.00 MMEL1 (0.36) MMEL1MMECPB2CPB1SMN1; SMN2
SCHEMBL16750036 0.90 SMN1; SMN2 (0.35) CPB2CPB1SMN1; SMN2
SCHEMBL5833197 0.90 SMN1; SMN2 (0.35) CPB2CPB1SMN1; SMN2
SCHEMBL5832985 0.90 SMN1; SMN2 (0.35) CPB2CPB1SMN1; SMN2
SCHEMBL20834533 0.88 CPB2 (0.39) MMEL1MMECPB2CPB1ACE
SCHEMBL3138900 0.87 CPB2 (0.33) MMECPB2CPB1SMN1; SMN2LTA4H
SCHEMBL16290057 0.87 CPB2 (0.33) CPB2CPB1SMN1; SMN2
SCHEMBL5870160 0.86 ACE2 (0.41) MMELTA4HACE
SCHEMBL8248643 0.86 ACE2 (0.41) MMELTA4HACE

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 MMEL1 539/4885MME 11/4885CPB2 16/4885

“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.