Sugi Predict

Sugi Predict / Compounds / SCHEMBL23330935

SCHEMBL23330935

SCHEMBL23330935

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 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
SCHEMBL23330928 0.91 MAPT (0.40) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL23330743 0.86 POLB (0.39) KDM4EMAPTNPC1POLBLMNA
SCHEMBL29831186 0.86 MAPT (0.37) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL29831255 0.86 GSK3B (0.36) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL23330880 0.86 GSK3B (0.36) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL23330951 0.86 MAPT (0.37) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL23330475 0.83 LMNA (0.36) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL23330763 0.83 KDM4E (0.35) KDM4EMAPTALDH1A1POLBMEN1
SCHEMBL29831282 0.83 KDM4E (0.35) KDM4EMAPTALDH1A1POLBMEN1
SCHEMBL24932610 0.82 MMP12 (0.39) KDM4EMAPTNPC1POLBIKBKE

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
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 KDM4E 3775/4885MAPT 4415/4885ALDH1A1 3406/4885

“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.