SCHEMBL23330723

SCHEMBL23330723

COC(=O)CC(=O)c1cc(-c2ccsc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NR4A2 P43354 1/20 0.39
AXL P30530 1/20 0.39
ADORA2A P29274 4/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2B P29275 2/20 0.37
ERN1 O75460 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CHEK2 O96017 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL23330930 0.90 ADORA1 (0.40) KDM4ENR4A2AXLADORA2AADORA1
SCHEMBL23331113 0.84 ACMSD (0.42) ADORA2AADORA1ADORA3ADORA2BERN1
SCHEMBL23330721 0.82 HDAC6 (0.51) KDM4EHDAC6MEN1MAPTKMT2A
SCHEMBL23300793 0.77 ACMSD (0.41) NR4A2HDAC1HDAC6ACMSDMEN1
SCHEMBL27605043 0.76 ACMSD (0.45) ERN1HDAC6CHEK2ACMSDMAPT
SCHEMBL24721657 0.74 ERN1 (0.39) ADORA2AADORA1ERN1HDAC6CHEK2
SCHEMBL23330848 0.74 HDAC6 (0.49) KDM4EHDAC6MEN1KMT2AMMP9
SCHEMBL23330432 0.73 GSK3B (0.58) MEN1MAPTKMT2AHSD17B10ALAD
SCHEMBL23330961 0.73 MEN1 (0.32) KDM4EMEN1MAPTKMT2AHSD17B10
SCHEMBL23330720 0.72 MAPT (0.43) KDM4EHDAC6ACMSDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 CN 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 (1 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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 KDM4E 3775/4885NR4A2 1715/4885AXL 1045/4885

“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.