SCHEMBL21787596

SCHEMBL21787596

CC(CNC(C)(C)CO)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 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
SCHEMBL21787597 0.84
SCHEMBL13004728 0.83 DPP4 (0.33) DPP4PTGS1KCNH2
SCHEMBL21787592 0.82
SCHEMBL17266187 0.82 APAF1 (0.38) DPP4PTGS1KCNH2
SCHEMBL21787593 0.77
SCHEMBL7117040 0.73 PKM (0.33) DPP4
SCHEMBL2835741 0.72 TDP1 (0.33)
SCHEMBL9647365 0.72 TDP1 (0.36) PTGS1KCNH2
SCHEMBL2835152 0.71 DPP4 (0.33) DPP4
SCHEMBL21787524 0.71 ANPEP (0.37) DPP4

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 DPP4 3895/4885PTGS1 2181/4885KCNH2 885/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP DPP4 3889/4885PTGS1 2169/4885KCNH2 876/4885

“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.