SCHEMBL9637071

SCHEMBL9637071

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
FOLH1 Q04609 1/20 0.46
GNPAT O15228 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MME P08473 3/20 0.43
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
BMP1 P13497 1/20 0.39
SLC15A2 Q16348 1/20 0.38

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
SCHEMBL25774753 1.00 ACE (0.49) ACEFOLH1GNPATKDM4EMAPT
SCHEMBL30038573 0.94 MME (0.47) ACEFOLH1GNPATKDM4EMAPT
SCHEMBL29659587 0.90 CA2 (0.51) GNPATRECQLSMN1; SMN2MMECA2
SCHEMBL30797987 0.90 CA2 (0.51) GNPATRECQLSMN1; SMN2MMECA2
SCHEMBL929660 0.90 ACE (0.55) ACEFOLH1KDM4EMAPTTHRB
SCHEMBL29682309 0.88 FOLH1 (0.59) ACEFOLH1GNPATKDM4EMAPT
SCHEMBL358953 0.86 KDM4E (0.57) ACEFOLH1GNPATKDM4EMAPT
SCHEMBL30051376 0.86 KDM4E (0.57) ACEFOLH1GNPATKDM4EMAPT
SCHEMBL1983976 0.86 KDM4E (0.57) ACEFOLH1GNPATKDM4EMAPT
SCHEMBL29051061 0.85 MME (0.50) GNPATMMECA2CA4SLC15A2

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-11746114-B2 Thermally sensitive protecting groups for cysteine for peptide cyclization and selective disulfide bond formation UNIVERSITY OF WINDSOR (CA) 2023-09-05 US disclosed
US-20220153749-A1 Thermally Sensitive Protecting Groups for Cysteine for Peptide Cyclization and Selective Disulfide Bond Formation UNIVERSITY OF WINDSOR (CA) 2022-05-19 US disclosed
EP-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO 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-20220153749-A1 Thermally Sensitive Protecting Groups for Cysteine for Peptide Cyclization and Selective Disulfide Bond Formation PTMS, CTH, VIP ACE 2119/4885FOLH1 555/4885GNPAT 2546/4885
US-11746114-B2 Thermally sensitive protecting groups for cysteine for peptide cyclization and selective disulfide bond formation PTMS, CTH, VIP ACE 2119/4885FOLH1 555/4885GNPAT 2546/4885

“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.