SCHEMBL29831759

SCHEMBL29831759

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.39
DYRK1B Q9Y463 9/20 0.39
CYP1A2 P05177 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PRP4K Q13523 1/20 0.36
HSD11B1 P28845 1/20 0.36
STING1 Q86WV6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 1.00 DYRK1A (0.39) DYRK1ADYRK1BCYP1A2ERCC5FEN1
SCHEMBL23331125 0.88 ERCC5 (0.45) DYRK1ADYRK1BERCC5FEN1ADRA2A
SCHEMBL29831644 0.86 STING1 (0.38) DYRK1ADYRK1BERCC5FEN1HPGD
SCHEMBL23330740 0.86 STING1 (0.38) DYRK1ADYRK1BERCC5FEN1HPGD
SCHEMBL23300721 0.83 CYP1A2 (0.45) DYRK1ADYRK1BCYP1A2ERCC5FEN1
SCHEMBL23300749 0.80 ERCC5 (0.39) DYRK1ADYRK1BERCC5FEN1ADRA2A
SCHEMBL29831877 0.79 CYP1A2 (0.38) CYP1A2ADRA2AADRA2BHPGDALDH1A1
SCHEMBL23330458 0.79 CYP1A2 (0.38) CYP1A2ADRA2AADRA2BHPGDALDH1A1
SCHEMBL23300792 0.72 STING1 (0.40) CYP1A2ERCC5FEN1HPGDALDH1A1
SCHEMBL23330308 0.71 HPGD (0.39) DYRK1ADYRK1BCYP1A2ERCC5FEN1

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
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
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

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 DYRK1A 3914/4885DYRK1B 4177/4885CYP1A2 998/4885

“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.