SCHEMBL21787657

SCHEMBL21787657

CCCC(CO)(CO)NCCCS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
APP P05067 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 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
SCHEMBL5054581 0.86 APP (0.34) APP
SCHEMBL12541342 0.86 APP (0.34) EPHX2APP
SCHEMBL97942 0.85 APP (0.39) EPHX2APP
SCHEMBL1078787 0.85 APP (0.39) EPHX2APP
Hydrochloric Acid SCHEMBL9571802 0.83 APP (0.38) EPHX2APP
Potassium SCHEMBL30106126 0.83 APP (0.38) EPHX2APP
SCHEMBL2818663 0.83 APP (0.38) EPHX2APP
SCHEMBL29515023 0.83 APP (0.38) EPHX2APP
SCHEMBL161583 0.81 APP (0.39) EPHX2APP
SCHEMBL355425 0.80 APP (0.38) EPHX2APPCA1CA2

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 EPHX2 3717/4885APP 2720/4885CA1 181/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP EPHX2 3728/4885APP 2763/4885CA1 214/4885

“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.