SCHEMBL30051376

SCHEMBL30051376

NCC(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 1/20 0.52
FOLH1 Q04609 1/20 0.48
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
PTGS1 P23219 2/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.39
GNPAT O15228 1/20 0.37

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
SCHEMBL1983976 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL358953 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28767097 0.98 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929660 0.92 ACE (0.55) KDM4EMAPTTHRBALOX15NFKB1
Cysteine SCHEMBL27656948 0.91 PTGS1 (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29702215 0.88 ACE (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7790449 0.87 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7790453 0.87 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29567569 0.86 PTGS1 (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL25774753 0.86 ACE (0.49) KDM4EMAPTTHRBALOX15NFKB1

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
CN-117203218-A Heptapeptide amides for the treatment of HMGB 1-dependent diseases 俄罗斯联邦医疗生物署联邦国家预算机构国家科学中心 2023-12-08 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

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 KDM4E 1136/4885MAPT 3330/4885THRB 434/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD KDM4E 4697/4885MAPT 4191/4885THRB 1391/4885

“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.