SCHEMBL23331125

SCHEMBL23331125

O=C(O)CC(=O)c1ccc(-c2cccc3sccc23)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
DYRK1A Q13627 11/20 0.42
DYRK1B Q9Y463 11/20 0.42
PRP4K Q13523 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HPGD P15428 3/20 0.38
HPGDS O60760 1/20 0.37
HSD11B1 P28845 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL23330764 0.88 DYRK1A (0.39) ERCC5FEN1DYRK1ADYRK1BPRP4K
SCHEMBL29831759 0.88 DYRK1A (0.39) ERCC5FEN1DYRK1ADYRK1BPRP4K
SCHEMBL23300749 0.86 ERCC5 (0.39) ERCC5FEN1DYRK1ADYRK1BPRP4K
SCHEMBL23331122 0.83 ERCC5 (0.46) ERCC5FEN1DYRK1ADYRK1BHPGD
SCHEMBL29831644 0.83 STING1 (0.38) ERCC5FEN1DYRK1ADYRK1BPRP4K
SCHEMBL23330740 0.83 STING1 (0.38) ERCC5FEN1DYRK1ADYRK1BPRP4K
SCHEMBL29943542 0.78 ADRA2A (0.37) ERCC5FEN1ADRA2AADRA2B
SCHEMBL23331104 0.78 ADRA2A (0.37) ERCC5FEN1ADRA2AADRA2B
SCHEMBL23300721 0.71 CYP1A2 (0.45) ERCC5FEN1DYRK1ADYRK1BHPGD
SCHEMBL29831159 0.69 ADRA2A (0.34) DYRK1ADYRK1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ERCC5 587/4885FEN1 694/4885DYRK1A 3914/4885

“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.