SCHEMBL16197847

SCHEMBL16197847

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 1.00
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17615422 0.82 ERN1 (0.82) ERN1KDM4EALDH1A1DRD2DRD4
SCHEMBL17601909 0.81 ERN1 (1.00) ERN1DRD2DRD4DRD3
SCHEMBL17601922 0.81 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL21101441 0.81 ERN1 (0.68) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17601914 0.81 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17615426 0.80 ERN1 (0.82) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17601889 0.80 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL16197814 0.75 ERN1 (1.00) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL17615419 0.74 ERN1 (0.70) ERN1KDM4EALDH1A1GLAGAA
SCHEMBL16197645 0.74 ERN1 (1.00) ERN1

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 9 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-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-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-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
WO-2014176348-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-10-30 WO 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 (5 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 2/4885KDM4E 2963/4885ALDH1A1 2127/4885
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, RRP1B, ERN1 ERN1 3/4885KDM4E 3704/4885ALDH1A1 2009/4885
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ERN1 3/4885KDM4E 2616/4885ALDH1A1 2871/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 ERN1 3/4885KDM4E 2616/4885ALDH1A1 2871/4885
US-20230107770-A1 METHOD OF ENHANCING IMMUNOTHERAPY USING ER STRESS PATHWAY INHIBITORS DDIT3, NFATC1, MCL1 ERN1 57/4885KDM4E 1208/4885ALDH1A1 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.