SCHEMBL23330928

SCHEMBL23330928

COC(=O)CC(=O)c1cc(-c2coc3ccccc23)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
PIN1 Q13526 1/20 0.37
PTGES O14684 1/20 0.37
PTGS2 P35354 1/20 0.37
POLQ O75417 1/20 0.37
ACACA Q13085 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
MIF P14174 1/20 0.36
PTPN1 P18031 2/20 0.35
MAOB P27338 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GRK2 P25098 1/20 0.34
GSK3B P49841 1/20 0.34
PSMB8 P28062 1/20 0.34

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
SCHEMBL23330935 0.91 KDM4E (0.45) MAPTALDH1A1NPC1POLBPIN1
SCHEMBL24932610 0.87 MMP12 (0.39) MAPTNPC1POLBKDM4EIKBKE
SCHEMBL23330743 0.81 POLB (0.39) MAPTNPC1POLBKDM4ERAB9A
SCHEMBL23300712 0.80 MAPT (0.42) MAPTALDH1A1NPC1POLBPIN1
SCHEMBL29831685 0.80 MAPT (0.43) MAPTALDH1A1NPC1ACACAKDM4E
SCHEMBL23330718 0.80 ERN1 (0.45) MAPTACACA
SCHEMBL23330720 0.80 MAPT (0.43) MAPTALDH1A1NPC1ACACAKDM4E
SCHEMBL23330951 0.77 MAPT (0.37) MAPTALDH1A1NPC1POLBPIN1
SCHEMBL29831186 0.77 MAPT (0.37) MAPTALDH1A1NPC1POLBPIN1
SCHEMBL23330880 0.77 GSK3B (0.36) MAPTALDH1A1NPC1POLBKDM4E

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 7 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
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 MAPT 4415/4885ALDH1A1 3406/4885NPC1 1142/4885

“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.