SCHEMBL29575720

SCHEMBL29575720

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.50
FNTA P49354 7/20 0.48
FNTB P49356 7/20 0.48
LMNA P02545 1/20 0.47
GRB2 P62993 1/20 0.44
PGGT1B P53609 2/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
SLC6A2 P23975 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACE P12821 3/20 0.41
REN P00797 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL30052866 0.91 GRB2 (0.53) XIAPFNTAFNTBLMNAGRB2
SCHEMBL30052397 0.91 XIAP (0.48) XIAPFNTAFNTBLMNAGRB2
SCHEMBL30216522 0.91 XIAP (0.46) XIAPFNTAFNTBLMNAGRB2
SCHEMBL29575751 0.90 NTSR2 (0.46) FNTAFNTBGRB2KMT2A
SCHEMBL30051457 0.89 DPP4 (0.46) XIAPFNTAFNTBLMNAGRB2
SCHEMBL30052876 0.88 XIAP (0.53) XIAPFNTAFNTBLMNAGRB2
SCHEMBL30397733 0.87 XIAP (0.55) XIAPGRB2SLC6A2ACEREN
SCHEMBL29350341 0.86 ACE (0.54) XIAPGRB2SLC6A2ACEREN
SCHEMBL29482768 0.86 ACE (0.54) XIAPGRB2SLC6A2ACEREN
SCHEMBL9002927 0.85 LMNA (0.48) XIAPFNTAFNTBLMNAPGGT1B

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 3 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
CN-113278049-B Selenium-rich flavor peptide separated from selenium-rich seaweed, preparation method and application 国民康健(北京)自然科学研究有限公司 2022-04-29 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 XIAP 4043/4885FNTA 734/4885FNTB 479/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD XIAP 2121/4885FNTA 776/4885FNTB 452/4885

“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.