Sugi Predict

Sugi Predict / Compounds / SCHEMBL23330743

SCHEMBL23330743

SCHEMBL23330743

O=C(O)CCC(=O)c1cc(-c2coc3ccccc23)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ MIF P14174 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 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
SCHEMBL24932610 0.89 MMP12 (0.39) POLBKDM4EMAPTPSMB8TDP1
SCHEMBL23330935 0.86 KDM4E (0.45) POLBKDM4EMAPTNPC1CYP1A2
SCHEMBL23300733 0.85 POLB (0.41) POLBKDM4EMAPTPSMB8TDP1
SCHEMBL29831300 0.85 POLB (0.41) POLBKDM4EMAPTPSMB8TDP1
SCHEMBL23300729 0.85 POLB (0.41) POLBKDM4EMAPTPSMB8TDP1
SCHEMBL23300709 0.81 PSMB5 (0.33) POLBKDM4EMAPTPSMB8TDP1
SCHEMBL23330928 0.81 MAPT (0.40) POLBKDM4EMAPTPSMB8NPC1
SCHEMBL23300819 0.81 HPGD (0.33) POLBKDM4EMAPTPSMB8TDP1
SCHEMBL23330450 0.79 CYP1A2 (0.45) CYP1A2MAOBMMP12NR4A2FFAR1
SCHEMBL23300704 0.79 MCL1 (0.43) POLBKDM4ETDP1CYP1A2NR4A2

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
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

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 POLB 2083/4885KDM4E 3775/4885MAPT 4415/4885

“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.