SCHEMBL16197809

SCHEMBL16197809

C=CCOC(=O)N1CCc2c(c(=O)oc3c(C=O)c(OCc4ccccc4)ccc23)C1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.71
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MTHFD1 P11586 1/20 0.40
MTHFD2 P13995 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39

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
SCHEMBL16197854 0.87 ERN1 (0.73) ERN1DRD2DRD4DRD3MTHFD1
SCHEMBL16197986 0.86 ERN1 (0.78) ERN1DRD2DRD4DRD3MTHFD1
SCHEMBL16197645 0.83 ERN1 (1.00) ERN1
SCHEMBL16198361 0.78 ERN1 (1.00) ERN1
SCHEMBL26876912 0.77 ERN1 (0.71) ERN1
SCHEMBL17601888 0.77 ERN1 (0.73) ERN1DRD2DRD4DRD3MTHFD1
SCHEMBL16197634 0.76 ERN1 (1.00) ERN1MTHFD1MTHFD2
SCHEMBL16198363 0.75 ERN1 (0.78) ERN1
SCHEMBL21101512 0.75 ERN1 (0.68) ERN1DRD2DRD4DRD3MTHFD1
SCHEMBL16198053 0.75 ERN1 (0.86) 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 5 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-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
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 (4 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 2/4885DRD2 4261/4885DRD4 4683/4885
US-20160083361-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, RRP1B, ERN1 ERN1 3/4885DRD2 4109/4885DRD4 4378/4885
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ERN1 3/4885DRD2 4806/4885DRD4 4766/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 ERN1 3/4885DRD2 4806/4885DRD4 4766/4885

“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.