SCHEMBL30051248

SCHEMBL30051248

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.67
▸ ACE P12821 2/20 0.63
▸ MME P08473 1/20 0.62
▸ GHSR Q92847 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ECE1 P42892 1/20 0.59

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
SCHEMBL30052824 1.00 LTA4H (0.67) LTA4HACEMMEGHSRKMT2A
SCHEMBL30051742 0.96 ACE (0.68) LTA4HACEECE1
SCHEMBL30503004 0.94 LTA4H (0.60) LTA4HACEMMEGHSRKMT2A
SCHEMBL30051539 0.91 ALOX15 (0.68) ACEKMT2A
SCHEMBL1407979 0.91 ALOX15 (0.68) ACEKMT2A
SCHEMBL1407978 0.91 ALOX15 (0.68) ACEKMT2A
Water SCHEMBL28029902 0.90 ERAP2 (0.67) ACEKMT2A
Water SCHEMBL28029903 0.90 ERAP2 (0.67) ACEKMT2A
SCHEMBL29564309 0.90 GHSR (0.57) LTA4HGHSR
SCHEMBL25608899 0.90 GHSR (0.57) LTA4HGHSR

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 LTA4H 3533/4885ACE 1190/4885MME 824/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD LTA4H 1299/4885ACE 486/4885MME 105/4885

“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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