SCHEMBL30053213

SCHEMBL30053213

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.64
▸ ECE1 P42892 8/20 0.62
▸ CTSC P53634 1/20 0.60
▸ OPRM1 P35372 1/20 0.59
▸ OPRD1 P41143 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ POLB P06746 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ERAP2 Q6P179 1/20 0.57
▸ P2RY14 Q15391 1/20 0.56
▸ TP53 P04637 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
SCHEMBL29429294 0.92 ACE (0.66) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL9870210 0.92 ACE (0.66) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30051300 0.91 ACE (0.60) ACEECE1OPRM1OPRD1ALOX15
Valyltryptophan SCHEMBL150533 0.89 ACE (0.75) ACEECE1CTSCALOX15
Valyltryptophan SCHEMBL30821897 0.89 ACE (0.75) ACEECE1CTSCALOX15
Valyltryptophan SCHEMBL150532 0.89 ACE (0.75) ACEECE1CTSCALOX15
Valyltryptophan SCHEMBL29365770 0.89 ACE (0.75) ACEECE1CTSCALOX15
Valyltryptophan SCHEMBL30821963 0.89 ACE (0.75) ACEECE1CTSCALOX15
SCHEMBL30052764 0.89 KDM4E (0.62) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30051470 0.88 ECE1 (0.66) ACEECE1OPRM1OPRD1ALOX15

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 1629/4885CTSC 131/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ACE 486/4885ECE1 997/4885CTSC 37/4885

“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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