SCHEMBL30053005

SCHEMBL30053005

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.63
▸ ECE1 P42892 11/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ APAF1 O14727 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ GHSR Q92847 1/20 0.58
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ MAGI3 Q5TCQ9 1/20 0.57
▸ ERAP2 Q6P179 1/20 0.56

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
SCHEMBL31171653 0.93 CASP1 (0.58) ACEECE1KDM4EAPAF1POLB
SCHEMBL29559633 0.93 ACE (0.62) ACEECE1KDM4EAPAF1POLB
SCHEMBL30051277 0.93 CTSC (0.64) ACEECE1KDM4EAPAF1POLB
SCHEMBL30052301 0.92 ACE (0.69) ACEECE1
SCHEMBL30051087 0.91 ACE (0.75) ACEECE1ERAP2
SCHEMBL30123321 0.91 ACE (0.60) ACEECE1KDM4EAPAF1POLB
SCHEMBL11804393 0.91 ACE (0.60) ACEECE1KDM4EAPAF1POLB
SCHEMBL31171654 0.90 ACE (0.59) ACEECE1GHSRMMP9MMP8
SCHEMBL30050958 0.90 ECE1 (0.63) ACEECE1MMP9MMP8ERAP2
SCHEMBL30051562 0.90 OPRM1 (0.60) ACEECE1GHSRMAGI3

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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