SCHEMBL29406144

SCHEMBL29406144

CCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 1.00
▸ NAE1 Q13564 3/20 1.00
▸ UBA3 Q8TBC4 2/20 1.00
▸ UBA1 P22314 1/20 1.00
▸ SAE1 Q9UBE0 1/20 1.00
▸ UBA2 Q9UBT2 1/20 1.00
▸ RNMT O43148 1/20 0.48
▸ ADK P55263 3/20 0.46
▸ DOT1L Q8TEK3 1/20 0.46

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
SCHEMBL23760337 1.00 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297434 1.00 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
Hydrochloric Acid SCHEMBL18297575 0.99 CA2 (0.99) CA2NAE1UBA3UBA1SAE1
SCHEMBL29484015 0.94 CA2 (0.89) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297457 0.94 CA2 (0.89) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297670 0.94 CA2 (0.88) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297530 0.92 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL29484005 0.92 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297547 0.92 CA2 (0.85) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297439 0.92 CA2 (0.85) CA2NAE1UBA3UBA1SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015592-A1 NEDDYLATION-ACTIVATING ENZYME INHIBITORS AS VIRAL SENSITIZERS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2026-01-15 — — US claimed
EP-4555074-A1 NEDDYLATION-ACTIVATING ENZYME INHIBITORS AS VIRAL SENSITIZERS AND USES THEREOF Ottawa Hospital Research Institute (CA) 2025-05-21 — — EP claimed
EP-4532690-A1 METHODS AND SYSTEMS FOR MODULATING AND MODELING AGING AND NEURODEGENERATION DISEASES Memorial Sloan-Kettering Cancer Center (US) 2025-04-09 — — EP claimed
US-20250085272-A1 METHODS AND SYSTEMS FOR MODULATING AND MODELING AGING AND NEURODEGENERATION DISEASES MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2025-03-13 — — US claimed
CN-118416231-A New use of Neddylination inhibitor in promoting osteoblast differentiation 首都医科大学 2024-08-02 — — CN claimed
US-20240148728-A1 NOVEL METHOD TO BLOCK INFLAMMATORY CELL DEATH AND IL-1BETA SECRETION CAUSED BY RIBOTOXINS AND UV IRRADIATION USING GENETIC AND CHEMICAL INHIBITORS OF ZAKA AND THE NLRP1 INFLAMMASOME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-05-09 — — US claimed
WO-2024011332-A1 NEDDYLATION-ACTIVATING ENZYME INHIBITORS AS VIRAL SENSITIZERS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2024-01-18 — — WO claimed
EP-4297788-A1 NOVEL METHOD TO BLOCK INFLAMMATORY CELL DEATH AND IL-1BETA SECRETION CAUSED BY RIBOTOXINS AND UV IRRADIATION USING GENETIC AND CHEMICAL INHIBITORS OF ZAKA AND THE NLRP1 INFLAMMASOME Nanyang Technological University (SG) 2024-01-03 — — EP claimed
WO-2023230342-A1 METHODS AND SYSTEMS FOR MODULATING AND MODELING AGING AND NEURODEGENERATION DISEASES MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-11-30 — — WO claimed
US-20230218654-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERGLYCEMIA IN TYPE-2 DIABETES UNIV OKLAHOMA (US) 2023-07-13 — — US claimed
US-20230172933-A1 USE OF A COMPOUND OR COMPOSITION COMPRISING AN INHIBITOR OF NLRP1 INFLAMMASOME ACTIVATION FOR THE TREATMENT OF HUMAN AIRWAY INFLAMMATION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-06-08 — — US claimed
CN-115551512-A Use of compounds or compositions comprising NLRP1 inflammatory body activation inhibitors for the treatment of airway inflammation in humans 南洋理工大学 2022-12-30 — — CN claimed
WO-2022182292-A1 NOVEL METHOD TO BLOCK INFLAMMATORY CELL DEATH AND IL-1BETA SECRETION CAUSED BY RIBOTOXINS AND UV IRRADIATION USING GENETIC AND CHEMICAL INHIBITORS OF ZAKA AND THE NLRP1 INFLAMMASOME NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-09-01 — — WO claimed
WO-2022159687-A1 PHENOTYPIC ASSAY TO IDENTIFY PROTEIN DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-07-28 — — WO claimed
WO-2022056252-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERGLYCEMIA IN TYPE-2 DIABETES THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-03-17 — — WO claimed
US-20220064249-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING INSULIN RESISTANCE, TYPE 2 DIABETES AND METABOLIC SYNDROME LINK THERAPEUTICS, LLC 2022-03-03 — — US claimed
US-20260015592-A1 NEDDYLATION-ACTIVATING ENZYME INHIBITORS AS VIRAL SENSITIZERS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2026-01-15 — — US disclosed
CN-121177307-A Use of a compound or composition comprising an inhibitor of NLRP1 inflammatory body activation for the treatment of airway inflammation in humans 南洋理工大学 2025-12-23 — — CN disclosed
WO-2022056252-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERGLYCEMIA IN TYPE-2 DIABETES THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-03-17 — — WO disclosed
US-20220064249-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING INSULIN RESISTANCE, TYPE 2 DIABETES AND METABOLIC SYNDROME LINK THERAPEUTICS, LLC 2022-03-03 — — 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 (2 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-20260015592-A1 NEDDYLATION-ACTIVATING ENZYME INHIBITORS AS VIRAL SENSITIZERS AND USES THEREOF NAE1, NEDD8, UBA3 CA2 1205/4885NAE1 1/4885UBA3 3/4885
US-20220064249-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING INSULIN RESISTANCE, TYPE 2 DIABETES AND METABOLIC SYNDROME INSR, IRS1, INSRR CA2 1146/4885NAE1 2314/4885UBA3 3149/4885

“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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