SCHEMBL23331122

SCHEMBL23331122

O=C(O)CC(=O)c1ccc(-c2csc3ccccc23)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL23300721 0.88 CYP1A2 (0.45) ERCC5FEN1DYRK1ADYRK1BHDAC2
SCHEMBL23330404 0.86 ERCC5 (0.40) ERCC5FEN1DYRK1ADYRK1BHDAC2
SCHEMBL23330308 0.84 HPGD (0.39) ERCC5FEN1DYRK1ADYRK1BHDAC2
SCHEMBL23331125 0.83 ERCC5 (0.45) ERCC5FEN1DYRK1ADYRK1BHDAC1
SCHEMBL23300792 0.81 STING1 (0.40) ERCC5FEN1CYP1A2GAACYP2C19
SCHEMBL24932423 0.78 HDAC2 (0.46) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL24932611 0.78 APP (0.43) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3095173 0.77 HDAC6 (0.56) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL23330764 0.71 DYRK1A (0.39) ERCC5FEN1DYRK1ADYRK1BCYP1A2
SCHEMBL29831759 0.71 DYRK1A (0.39) ERCC5FEN1DYRK1ADYRK1BCYP1A2

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.