SCHEMBL30052756

SCHEMBL30052756

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 8/20 0.68
▸ ERAP2 Q6P179 5/20 0.67
▸ ACE P12821 2/20 0.64
▸ CTSC P53634 1/20 0.63
▸ IL1RN P18510 4/20 0.61
▸ ERAP1 Q9NZ08 3/20 0.61
▸ MMP2 P08253 2/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ MMP8 P22894 1/20 0.61
▸ MMP1 P03956 1/20 0.61

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
SCHEMBL30821831 1.00 ECE1 (0.68) ECE1ERAP2ACECTSCIL1RN
SCHEMBL31502300 1.00 ECE1 (0.68) ECE1ERAP2ACECTSCIL1RN
SCHEMBL30051522 0.96 ERAP2 (0.72) ECE1ERAP2ACECTSCIL1RN
SCHEMBL29993325 0.94 ERAP2 (0.65) ECE1ERAP2ACECTSCIL1RN
SCHEMBL30051305 0.94 ACE (0.72) ECE1ERAP2ACECTSC
SCHEMBL31388803 0.94 ERAP2 (0.72) ECE1ERAP2ACECTSCIL1RN
SCHEMBL32681291 0.93 ERAP2 (0.68) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL30931483 0.93 ERAP2 (0.66) ECE1ERAP2ACECTSCIL1RN
SCHEMBL30099514 0.92 ERAP2 (0.68) ECE1ERAP2ACECTSCIL1RN
SCHEMBL9822631 0.92 ECE1 (0.70) ECE1ERAP2ACEIL1RNERAP1

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 ECE1 1629/4885ERAP2 831/4885ACE 1190/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ECE1 997/4885ERAP2 87/4885ACE 486/4885

“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.

Send feedback