SCHEMBL1027211

SCHEMBL1027211

CC(=O)c1ccc2c(c1O)OCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4714549 0.86 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL6616047 0.84 MAPK1 (0.46) AOC3ALDH1A1CYP3A4
SCHEMBL6341931 0.82 AOC3 (0.43) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL7817212 0.81 AOC3 (0.40) AOC3ALDH1A1HPGDNPC1RAB9A
SCHEMBL25082792 0.81 HTT (0.44) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL10446374 0.81 AOC3 (0.42) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL25082789 0.81 AOC3 (0.42) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL13516155 0.78 ALDH1A1 (0.46) AOC3KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8316852 0.77 XDH (0.40) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL340356 0.76 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
EP-3962899-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 EP disclosed
US-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-11-25 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 WO disclosed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 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 (6 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-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 AOC3 4124/4885KDM4E 4640/4885ALDH1A1 3472/4885
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 AOC3 2680/4885KDM4E 3115/4885ALDH1A1 3714/4885
US-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 AOC3 39/4885KDM4E 414/4885ALDH1A1 535/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 AOC3 82/4885KDM4E 505/4885ALDH1A1 586/4885
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 AOC3 4124/4885KDM4E 4640/4885ALDH1A1 3472/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 AOC3 2680/4885KDM4E 3115/4885ALDH1A1 3714/4885

“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.