SCHEMBL8248659

SCHEMBL8248659

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CPB2 Q96IY4 6/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ MMEL1 Q495T6 1/20 0.33
▸ MME P08473 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HCAR3 P49019 1/20 0.30
▸ HCAR2 Q8TDS4 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
SCHEMBL8249911 0.89 CPB2 (0.38) SMN1; SMN2CPB2CPB1MME
SCHEMBL5869764 0.89 CPB2 (0.38) SMN1; SMN2CPB2CPB1MME
SCHEMBL29071840 0.89 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1
SCHEMBL8249067 0.89 CPB2 (0.38) SMN1; SMN2CPB2CPB1MME
SCHEMBL30087493 0.89 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1MMEPOLB
SCHEMBL16750036 0.87 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1
SCHEMBL5832985 0.87 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1
SCHEMBL5833197 0.87 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1
SCHEMBL8248985 0.86 CPB2 (0.39) CPB2CPB1MME
SCHEMBL5869297 0.86 CPB2 (0.39) CPB2CPB1MME

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 SMN1; SMN2 3028/4885CPB2 16/4885CPB1 67/4885

“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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