SCHEMBL30051310

SCHEMBL30051310

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.68
▸ ECE1 P42892 12/20 0.66
▸ ALOX15 P16050 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL30051825 0.91 ACE (0.64) ACEECE1ALOX15KMT2A
SCHEMBL3855087 0.90 ACE (0.56) ACEECE1POLB
SCHEMBL3855086 0.90 ACE (0.56) ACEECE1POLB
SCHEMBL9068536 0.90 ACE (0.72) ACEECE1
SCHEMBL29429269 0.89 ACE (0.71) ACEECE1ALOX15MEN1POLB
SCHEMBL30052301 0.88 ACE (0.69) ACEECE1ALOX15
SCHEMBL30051742 0.88 ACE (0.68) ACEECE1ALOX15
SCHEMBL30051539 0.88 ALOX15 (0.68) ACEALOX15MEN1POLBHTT
SCHEMBL1407978 0.88 ALOX15 (0.68) ACEALOX15MEN1POLBHTT
SCHEMBL1407979 0.88 ALOX15 (0.68) ACEALOX15MEN1POLBHTT

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 1629/4885ALOX15 4573/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ACE 486/4885ECE1 997/4885ALOX15 3742/4885

“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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