SCHEMBL17601922

SCHEMBL17601922

CN1CCc2c(c(=O)oc3c(C=O)c(O)ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 1.00
MAOA P21397 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL17615431 0.86 ERN1 (0.76) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL17615427 0.85 ERN1 (0.74) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL17601914 0.85 ERN1 (1.00) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL17615426 0.84 ERN1 (0.82) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL22882606 0.83 ERN1 (0.71) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL22882598 0.82 ERN1 (0.70) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL22882609 0.82 ERN1 (0.69) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL16197814 0.81 ERN1 (1.00) ERN1MAOAALDH1A1KDM4EGLA
SCHEMBL16197847 0.81 ERN1 (1.00) ERN1ALDH1A1KDM4EGLAGAA
SCHEMBL17615432 0.81 ERN1 (0.67) ERN1MAOAALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-09-05 US disclosed
US-20240216346-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same THE WISTAR INST (US) 2024-07-04 US disclosed
US-20240216346-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same THE WISTAR INST (US) 2024-07-04 US disclosed
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-04-02 US disclosed
US-11833137-B2 Substituted chromenones, IRE1 inhibitors, and methods of using same THE WISTAR INSTITUTE (US) 2023-12-05 US disclosed
US-11833137-B2 Substituted chromenones, IRE1 inhibitors, and methods of using same THE WISTAR INSTITUTE (US) 2023-12-05 US disclosed
US-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-04-06 US disclosed
US-20210008043-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same NATIONAL INSTITUTES OF HEALTH 2021-01-14 US disclosed
US-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-06-18 US disclosed
US-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-06-18 US disclosed
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-24 US disclosed
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-24 US disclosed
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-24 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 (8 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-10323013-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, ERN1, SREBF1 ERN1 2/4885MAOA 4146/4885ALDH1A1 2127/4885
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, RRP1B, ERN1 ERN1 3/4885MAOA 3769/4885ALDH1A1 2009/4885
US-20210008043-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same XBP1, ERN1, ERN2 ERN1 2/4885MAOA 3892/4885ALDH1A1 2686/4885
US-11833137-B2 Substituted chromenones, IRE1 inhibitors, and methods of using same XBP1, ERN1, ERN2 ERN1 2/4885MAOA 3892/4885ALDH1A1 2686/4885
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ERN1 3/4885MAOA 4317/4885ALDH1A1 2871/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 ERN1 3/4885MAOA 4317/4885ALDH1A1 2871/4885
US-20240216346-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same XBP1, ERN1, ERN2 ERN1 2/4885MAOA 3883/4885ALDH1A1 2667/4885
US-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS DDIT3, NFATC1, MCL1 ERN1 57/4885MAOA 4661/4885ALDH1A1 4084/4885

“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.