SCHEMBL29993422

SCHEMBL29993422

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 5/20 0.74
ITGB2 P05107 1/20 0.58
ICAM1 P05362 1/20 0.58
ITGAL P20701 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TACR1 P25103 2/20 0.54
NTSR2 O95665 1/20 0.54
NTSR1 P30989 1/20 0.54
SORT1 Q99523 1/20 0.54
ACE P12821 1/20 0.52
BCHE P06276 1/20 0.52
CAPN1 P07384 2/20 0.52
CTSB P07858 2/20 0.52
ECE1 P42892 1/20 0.52
DPP4 P27487 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL30052964 0.93 DPP3 (0.69) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30050921 0.93 DPP3 (0.67) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL29842186 0.90 DPP3 (0.65) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30051252 0.90 DPP3 (0.65) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30921658 0.88 ITGB2 (0.65) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL29498733 0.88 DPP3 (0.63) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30050936 0.88 DPP3 (0.69) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL29963309 0.87 DPP3 (0.64) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30051283 0.86 DPP3 (0.61) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30052255 0.86 DPP3 (0.69) DPP3ITGB2ICAM1ITGALMEN1

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 4 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
CN-115433258-B Antibacterial polypeptide and application thereof 北京林业大学 2023-09-26 CN 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
CN-115433258-A Antibacterial polypeptide and application thereof 北京林业大学 2022-12-06 CN 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 DPP3 25/4885ITGB2 3494/4885ICAM1 2949/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD DPP3 64/4885ITGB2 3719/4885ICAM1 2371/4885

“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.