SCHEMBL21787522

SCHEMBL21787522

CC(CNCCS(=O)(=O)O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 6/20 0.38
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
CYP2D6 P10635 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL21787523 0.89 APP (0.36) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL12541389 0.83 APAF1 (0.36) ENPEPCYP2C19CYP2D6
SCHEMBL1553508 0.79 PTGS1 (0.36) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL8722424 0.78 ANPEP (0.36) CYP2C19CYP2D6
SCHEMBL9117380 0.78 CA2 (0.38) LMNASLC6A6CYP2C19BLMCYP2D6
SCHEMBL21787524 0.77 ANPEP (0.37) LMNACYP2C19BLMCYP2D6
SCHEMBL11147726 0.76 KMT2A (0.34) LMNASLC6A6CYP2C19BLMCYP2D6
SCHEMBL28038412 0.75 KMT2A (0.33) LMNASLC6A6CYP2C19BLMCYP2D6
SCHEMBL7200678 0.73 ENPEP (0.36) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL12541378 0.73 CA2 (0.36) ENPEPBLMAPP

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-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 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-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP ENPEP 1044/4885LMNA 1639/4885SLC6A6 86/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP ENPEP 1085/4885LMNA 1653/4885SLC6A6 89/4885

“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.