SCHEMBL30050958

SCHEMBL30050958

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 8/20 0.63
▸ ERAP2 Q6P179 2/20 0.60
▸ MMP2 P08253 6/20 0.59
▸ MMP9 P14780 4/20 0.59
▸ MMP8 P22894 4/20 0.59
▸ MMP1 P03956 2/20 0.59
▸ ACE P12821 2/20 0.59
▸ IL1RN P18510 1/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.55

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
SCHEMBL29849173 0.93 ECE1 (0.62) ECE1ERAP2MMP2MMP9MMP8
SCHEMBL29559633 0.93 ACE (0.62) ECE1ERAP2MMP9MMP8ACE
SCHEMBL29533774 0.92 ERAP2 (0.62) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL30052053 0.92 ECE1 (0.68) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL30051190 0.92 ECE1 (0.74) ECE1ERAP2MMP2MMP9MMP8
SCHEMBL30051725 0.92 EDNRA (0.60) ECE1ERAP2MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL11225422 0.91 ECE1 (0.67) ECE1ERAP2ACEIL1RNERAP1
Hydrochloric Acid SCHEMBL11225429 0.91 ECE1 (0.67) ECE1ERAP2ACEIL1RNERAP1
SCHEMBL30123321 0.91 ACE (0.60) ECE1ERAP2MMP9MMP8ACE
SCHEMBL31564765 0.91 ECE1 (0.69) ECE1ERAP2MMP2MMP9MMP8

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 831/4885MMP2 1771/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ECE1 997/4885ERAP2 87/4885MMP2 278/4885

“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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