SCHEMBL12469522

SCHEMBL12469522

O=C(O)C(=O)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
AOC3 Q16853 3/20 0.50
FAAH O00519 1/20 0.50
NAAA Q02083 1/20 0.50
BCL2 P10415 1/20 0.49
AGXT P21549 1/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
GPR52 Q9Y2T5 1/20 0.46
NR4A2 P43354 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46

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
SCHEMBL31725439 0.86 AOC3 (0.51) ERCC5FEN1CES2CES1AOC3
SCHEMBL538397 0.84 ABCC4 (0.67) AOC3FAAHNAAABCL2ABCC4
SCHEMBL3437800 0.84 AOC3 (0.53) AOC3FAAHNAAABCL2AGXT
SCHEMBL12550972 0.82 LMNA (0.53) CES2CES1AOC3FAAHNAAA
SCHEMBL7319428 0.82 LMNA (0.69) ERCC5FEN1CES2CES1ABCC4
SCHEMBL28032595 0.82 LMNA (0.63) AOC3FAAHNAAABCL2ABCC4
SCHEMBL5487173 0.81 FAAH (0.48) ERCC5FEN1AOC3FAAHNAAA
Phenylpyruvate SCHEMBL43235 0.81 CES1 (0.80) ERCC5FEN1CES2CES1ABCC4
Phenylpyruvate SCHEMBL28203540 0.81 CES1 (0.80) ERCC5FEN1CES2CES1ABCC4
SCHEMBL19612598 0.81 AOC3 (0.50) AOC3FAAHNAAABCL2AGXT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174065-B2 Antidiabetic enolic glucoside of phenylpyruvic acid ZADEC APS (DK) 2019-01-08 US disclosed
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2016-03-24 US disclosed
US-9221860-B2 Antidiabetic enolic glucoside of phenylpyruvic acid ZADEC APS (DK) 2015-12-29 US disclosed
EP-2625184-B1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2014-10-01 EP disclosed
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2013-11-21 US disclosed
EP-2625184-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID Zadec ApS (DK) 2013-08-14 EP disclosed
WO-2012045363-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2012-04-12 WO 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 (3 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-10174065-B2 Antidiabetic enolic glucoside of phenylpyruvic acid PC, SLC5A1, SLC5A2 ERCC5 3079/4885FEN1 4742/4885CES2 3064/4885
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 ERCC5 3079/4885FEN1 4742/4885CES2 3064/4885
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 ERCC5 3079/4885FEN1 4742/4885CES2 3064/4885

“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.