SCHEMBL29864762

SCHEMBL29864762

C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NCC(=O)OCC)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 8/20 0.49
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ YAP1 P46937 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ TEAD4 Q15561 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ C5AR1 P21730 4/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL14788388 1.00 GPX4 (0.49) GPX4LMNANPSR1MAPTNPC1
SCHEMBL14788496 0.91 GPX4 (0.49) GPX4LMNANPSR1MAPTNPC1
SCHEMBL29172532 0.90 GPX4 (0.43) GPX4LMNANPSR1MAPTNPC1
SCHEMBL14788390 0.89 GPX4 (0.54) GPX4LMNANPSR1MAPTNPC1
SCHEMBL14788457 0.86 C5AR1 (0.45) MAPTSMN1; SMN2ALDH1A1TP53C5AR1
SCHEMBL27264728 0.84 GPX4 (0.70) GPX4LMNANPSR1MAPTNPC1
SCHEMBL12639686 0.80 POLB (0.53) GPX4LMNANPSR1MAPTYAP1
SCHEMBL14788327 0.79 LMNA (0.47) GPX4LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL14788385 0.77 CYP1A2 (0.49) GPX4LMNANPSR1MAPTYAP1
SCHEMBL14788325 0.76 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1TP53

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340891-A Application of PDI inhibitor in preparation of product for inhibiting STING activation 暨南大学附属第一医院(广州华侨医院) 2024-07-16 — — CN claimed
US-20240216365-A1 METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-07-04 — — US claimed
US-11883459-B2 Thiol isomerases inhibitors for the treatment and prevention of food allergies, allergic diseases, and inflammatory diseases WESTERN NEW ENGLAND UNIVERSITY (US) 2024-01-30 — — US claimed
US-11883395-B2 Method of treating severe acute respiratory syndrome (SARS) virus infection by administering a protein disulfide isomerase (PDI) inhibitor THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-01-30 — — US claimed
CN-117379403-A Use of substances that reduce PDI activity in the treatment of autoimmune diseases 北京大学 2024-01-12 — — CN claimed
CN-115057909-A Protein degradation targeting chimera based on compound PACMA31, and preparation method and application thereof 浙江工业大学 2022-09-16 — — CN claimed
US-20260130924-A1 COMPOSITIONS AND METHODS OF TREATING SUBJECTS WITH BRCA1 MUTATION OR DEFICIENCY UNIV TEXAS (US) 2026-05-14 — — US disclosed
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 — — US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 — — EP disclosed
EP-4573078-A1 THIOL ISOMERASES INHIBITORS; PREPARATION THEREOF; AND METHODS OF USE THEREOF Western New England University (US) 2025-06-25 — — EP disclosed
US-20250108036-A1 COMPOSITIONS FOR REMOVING SENESCENT CELLS AND USES THEREOF LIFECEUTIX CO., LTD. (KR) 2025-04-03 — — US disclosed
WO-2025029660-A9 COMPOUNDS WITH SELECTIVITY FOR CERTAIN CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-03-13 — — WO disclosed
WO-2025029660-A1 COMPOUNDS WITH SELECTIVITY FOR CERTAIN CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-06 — — WO disclosed
US-11883395-B2 Method of treating severe acute respiratory syndrome (SARS) virus infection by administering a protein disulfide isomerase (PDI) inhibitor THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-01-30 — — US disclosed
CN-117379403-A Use of substances that reduce PDI activity in the treatment of autoimmune diseases 北京大学 2024-01-12 — — CN disclosed
CN-117379403-A Use of substances that reduce PDI activity in the treatment of autoimmune diseases 北京大学 2024-01-12 — — CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 — — US disclosed
CN-115057909-A Protein degradation targeting chimera based on compound PACMA31, and preparation method and application thereof 浙江工业大学 2022-09-16 — — CN disclosed
CN-115057909-A Protein degradation targeting chimera based on compound PACMA31, and preparation method and application thereof 浙江工业大学 2022-09-16 — — CN disclosed
CN-115057909-A Protein degradation targeting chimera based on compound PACMA31, and preparation method and application thereof 浙江工业大学 2022-09-16 — — 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 (7 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-11883395-B2 Method of treating severe acute respiratory syndrome (SARS) virus infection by administering a protein disulfide isomerase (PDI) inhibitor PDIA3, PDIA5, PDIA4 GPX4 70/4885LMNA 4379/4885NPSR1 2421/4885
US-11883459-B2 Thiol isomerases inhibitors for the treatment and prevention of food allergies, allergic diseases, and inflammatory diseases SERPINB1, PPIE, TST GPX4 156/4885LMNA 4716/4885NPSR1 3326/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 GPX4 144/4885LMNA 3889/4885NPSR1 4320/4885
US-20260130924-A1 COMPOSITIONS AND METHODS OF TREATING SUBJECTS WITH BRCA1 MUTATION OR DEFICIENCY BRCA1, GPX4, GPX1 GPX4 2/4885LMNA 2661/4885NPSR1 4270/4885
US-20250108036-A1 COMPOSITIONS FOR REMOVING SENESCENT CELLS AND USES THEREOF GLA, LIMS1, TP53 GPX4 215/4885LMNA 25/4885NPSR1 4225/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 GPX4 39/4885LMNA 4016/4885NPSR1 3934/4885
US-20240216365-A1 METHODS AND USES OF PROTEIN DISULFIDE ISOMERASE INHIBITORY COMPOUNDS PDIA3, PDIA4, PDIA5 GPX4 65/4885LMNA 4086/4885NPSR1 3418/4885

“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.

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