SCHEMBL23312954

SCHEMBL23312954

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 9/20 0.67
▸ ACE P12821 2/20 0.58
▸ CTSC P53634 1/20 0.58
▸ ANPEP P15144 2/20 0.54
▸ IL1RN P18510 2/20 0.54
▸ ERAP2 Q6P179 2/20 0.54
▸ ERAP1 Q9NZ08 2/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.54
▸ MMP1 P03956 2/20 0.53
▸ MMP3 P08254 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ HPGDS O60760 1/20 0.52

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
SCHEMBL23312953 0.93 ECE1 (0.58) ECE1ACECTSCMMP1MMP3
SCHEMBL7397063 0.92 ACE (0.58) ECE1ACECTSC
SCHEMBL7397057 0.92 ACE (0.58) ECE1ACECTSC
SCHEMBL8725890 0.91 ACE (0.71) ECE1ACE
SCHEMBL5481232 0.91 ACE (0.71) ECE1ACE
SCHEMBL3512696 0.91 ACE (0.71) ECE1ACE
SCHEMBL7397641 0.91 ACE (0.71) ECE1ACE
SCHEMBL9465167 0.89 MEN1 (0.60) ACECTSCANPEPIL1RNERAP2
SCHEMBL30051826 0.89 ACE (0.68) ECE1ACEERAP2
SCHEMBL9465160 0.89 MEN1 (0.60) ACECTSCANPEPIL1RNERAP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993983-B2 Cyclic peptide epitopes and small-molecule mimics for inducing autophagy TRUSTEES OF TUFTS COLLEGE (US) 2021-05-04 — — 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-10993983-B2 Cyclic peptide epitopes and small-molecule mimics for inducing autophagy BECN1, SQSTM1, ATG7 ECE1 2223/4885ACE 4349/4885CTSC 37/4885

“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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