SCHEMBL21787523

SCHEMBL21787523

CC(CNCCCS(=O)(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
ENPEP Q07075 6/20 0.36
CA2 P00918 1/20 0.35
ANPEP P15144 2/20 0.33
EPHX2 P34913 1/20 0.33
ERAP2 Q6P179 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL21787522 0.89 ENPEP (0.38) APPENPEPLMNASLC6A6CYP2C19
SCHEMBL12541378 0.84 CA2 (0.36) APPENPEPCA2ANPEPEPHX2
SCHEMBL10230690 0.83 APP (0.34) APPENPEPCA2ANPEPEPHX2
SCHEMBL8722424 0.83 ANPEP (0.36) CA2ANPEPERAP2MAOAMAOB
SCHEMBL14861611 0.80 APP (0.40) APPENPEPCA2ANPEPEPHX2
SCHEMBL917453 0.80 CA2 (0.46) APPCA2ANPEPEPHX2ERAP2
SCHEMBL7919805 0.78 CA2 (0.45) APPCA2ANPEPEPHX2ERAP2
SCHEMBL918428 0.78 KMT2A (0.38) APPCA2ANPEPEPHX2ERAP2
SCHEMBL918439 0.78 KMT2A (0.38) APPCA2ANPEPEPHX2ERAP2
SCHEMBL918429 0.78 KMT2A (0.38) APPCA2ANPEPEPHX2ERAP2

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 APP 2720/4885ENPEP 1044/4885CA2 43/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP APP 2763/4885ENPEP 1085/4885CA2 48/4885

“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.