SCHEMBL14788388

SCHEMBL14788388

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
SCHEMBL29864762 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128679-A1 THIOL ISOMERASES INHIBITORS FOR THE TREATMENT AND PREVENTION OF FOOD ALLERGIES, ALLERGIC DISEASES, AND INFLAMMATORY DISEASES WESTERN NEW ENGLAND UNIVERSITY 2021-05-06 — — US claimed
WO-2019164874-A1 THIOL ISOMERASES INHIBITORS FOR THE TREATMENT AND PREVENTION OF FOOD ALLERGIES, ALLERGIC DISEASES, AND INFLAMMATORY DISEASES WESTERN NEW ENGLAND UNIVERSITY (US) 2019-08-29 — — WO claimed
US-12516016-B2 GPX4 inhibitors, pharmaceutical compositions thereof, and their use for treating GPX4-mediated diseases Cao, Sheldon (US) 2026-01-06 — — US disclosed
US-20240246901-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS (HONG KONG) LIMITED (HK) 2024-07-25 — — US disclosed
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 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-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 — — CN disclosed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 — — WO disclosed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 — — WO disclosed
US-20210128679-A1 THIOL ISOMERASES INHIBITORS FOR THE TREATMENT AND PREVENTION OF FOOD ALLERGIES, ALLERGIC DISEASES, AND INFLAMMATORY DISEASES WESTERN NEW ENGLAND UNIVERSITY 2021-05-06 — — US disclosed
US-20210128679-A1 THIOL ISOMERASES INHIBITORS FOR THE TREATMENT AND PREVENTION OF FOOD ALLERGIES, ALLERGIC DISEASES, AND INFLAMMATORY DISEASES WESTERN NEW ENGLAND UNIVERSITY 2021-05-06 — — US disclosed
CN-105832722-B Compound PACMA31 is preparing the application in anti-infection of hepatitis C virus drug 中国人民解放军西部战区总医院 2019-09-20 — — CN disclosed
WO-2019164874-A1 THIOL ISOMERASES INHIBITORS FOR THE TREATMENT AND PREVENTION OF FOOD ALLERGIES, ALLERGIC DISEASES, AND INFLAMMATORY DISEASES WESTERN NEW ENGLAND UNIVERSITY (US) 2019-08-29 — — WO disclosed
WO-2019164874-A1 THIOL ISOMERASES INHIBITORS FOR THE TREATMENT AND PREVENTION OF FOOD ALLERGIES, ALLERGIC DISEASES, AND INFLAMMATORY DISEASES WESTERN NEW ENGLAND UNIVERSITY (US) 2019-08-29 — — WO disclosed
US-20180370912-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEIN DISULFIDE ISOMERASE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-12-27 — — US disclosed
CN-105832722-A Application of compound PACMA31 in preparation of anti-hepatitis c virus infection medicine 刘媛 2016-08-10 — — CN disclosed
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — US 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 (6 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-20240246901-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES GPX4, GPX1, TXNRD2 GPX4 1/4885LMNA 3586/4885NPSR1 3353/4885
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 GPX4 2413/4885LMNA 1318/4885NPSR1 3244/4885
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-20210128679-A1 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-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-20180370912-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEIN DISULFIDE ISOMERASE P4HB, PDIA5, PDIA4 GPX4 37/4885LMNA 3407/4885NPSR1 3485/4885

“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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