SCHEMBL8248985

SCHEMBL8248985

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.39
▸ CPB1 P15086 2/20 0.36
▸ ACE P12821 4/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MME P08473 4/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 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
SCHEMBL5869297 1.00 CPB2 (0.39) CPB2CPB1ACECA2MME
SCHEMBL8254294 0.95 ACE (0.42) CPB2CPB1ACENOD1FOLH1
SCHEMBL5869512 0.95 ACE (0.42) CPB2CPB1ACENOD1FOLH1
SCHEMBL8249067 0.92 CPB2 (0.38) CPB2CPB1ACEMME
SCHEMBL8249911 0.92 CPB2 (0.38) CPB2CPB1ACEMME
SCHEMBL5869764 0.92 CPB2 (0.38) CPB2CPB1ACEMME
SCHEMBL11499160 0.89 MME (0.40) CPB2CPB1ACECA2MME
SCHEMBL5964360 0.89 CPB2 (0.39) CPB2CPB1ACECA2MME
SCHEMBL11499162 0.89 MME (0.40) CPB2CPB1ACECA2MME
SCHEMBL5870309 0.87 CPB2 (0.36) CPB2CPB1ACECA2MME

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 CPB2 16/4885CPB1 67/4885ACE 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.

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