SCHEMBL12469090

SCHEMBL12469090

CC(=O)C(=O)Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GRM4 Q14833 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
TSHR P16473 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
LY96 Q9Y6Y9 1/20 0.39
HTR7 P34969 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL767136 0.86 ELANE (0.49) KDM4EALDH1A1TDP1GRM4HPGD
SCHEMBL874329 0.83 PTGS2 (0.57) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL23645202 0.79 HTR7 (0.40) KDM4EALDH1A1TDP1GRM4HPGD
SCHEMBL28164367 0.79 LMNA (0.39) KDM4EALDH1A1TDP1GRM4HPGD
SCHEMBL57099 0.79 GRM4 (0.44) KDM4EALDH1A1GRM4HPGDHSD17B10
SCHEMBL29549932 0.79 GRM4 (0.44) KDM4EALDH1A1GRM4HPGDHSD17B10
SCHEMBL9661883 0.78 GRM4 (0.39) KDM4EALDH1A1TDP1GRM4HPGD
SCHEMBL8803345 0.78 RAB9A (0.39) KDM4EALDH1A1TDP1GRM4HPGD
SCHEMBL29551567 0.78 TSHR (0.50) KDM4EALDH1A1TDP1HPGDHSD17B10
SCHEMBL150546 0.78 TSHR (0.50) KDM4EALDH1A1TDP1HPGDHSD17B10

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 KDM4E 2292/4885ALDH1A1 2770/4885TDP1 3786/4885
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 KDM4E 2292/4885ALDH1A1 2770/4885TDP1 3786/4885
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 KDM4E 2292/4885ALDH1A1 2770/4885TDP1 3786/4885

“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.