SCHEMBL30052328

SCHEMBL30052328

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.60
▸ ECE1 P42892 12/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ APAF1 O14727 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CTSC P53634 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54

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
SCHEMBL30051826 0.94 ACE (0.68) ACEECE1ERAP2
SCHEMBL23312953 0.93 ECE1 (0.58) ACEECE1CTSCMMP9MMP8
SCHEMBL29555460 0.92 ACE (0.66) ACEECE1ERAP2
SCHEMBL7397641 0.92 ACE (0.71) ACEECE1
SCHEMBL3512696 0.92 ACE (0.71) ACEECE1
SCHEMBL5481232 0.92 ACE (0.71) ACEECE1
SCHEMBL8725890 0.92 ACE (0.71) ACEECE1
SCHEMBL30053232 0.91 ACE (0.59) ACEECE1KDM4EAPAF1POLB
SCHEMBL30053239 0.91 CTSC (0.66) ACEECE1KDM4EAPAF1POLB
SCHEMBL30838790 0.90 ACE (0.67) ACEECE1

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-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 — — US disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 — — 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 (2 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-12622975-B2 Peptide-conjugated prodrugs PEPD, PAM, VIP ACE 1190/4885ECE1 1629/4885KDM4E 1136/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ACE 486/4885ECE1 997/4885KDM4E 4697/4885

“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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