SCHEMBL21787520

SCHEMBL21787520

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.38
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ENPEP Q07075 2/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17266187 0.83 APAF1 (0.38) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL21787597 0.82
SCHEMBL12228330 0.81 APAF1 (0.39) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL15905729 0.80 APAF1 (0.41) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL21787528 0.76 APAF1 (0.36) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL21787488 0.75 FOLH1 (0.39) FOLH1
SCHEMBL3236355 0.73 GABRR1 (0.39) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL11702665 0.73 TDP1 (0.36)
SCHEMBL11307127 0.72 APAF1 (0.36) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL22034668 0.72 ADRB2 (0.39) APAF1GABRR1CYP1A2FOLH1NAALAD2

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 APAF1 1850/4885GABRR1 625/4885CYP1A2 4877/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP APAF1 1886/4885GABRR1 636/4885CYP1A2 4877/4885

“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.