SCHEMBL30848910

SCHEMBL30848910

C=CCOC(=O)NCC(C)c1cc(=O)oc2c(C=O)c(O)ccc12

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.68
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.37
SORT1 Q99523 1/20 0.36
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30848924 0.89 ERN1 (0.66) ERN1MAOAMAOBCA9HSD17B10
SCHEMBL16197846 0.84 ERN1 (0.58) ERN1MAOAMAOBSORT1GAA
SCHEMBL30848898 0.82 ERN1 (0.47) ERN1MAOBCA9GAAHSD17B10
SCHEMBL30848799 0.80 ERN1 (1.00) ERN1MAOAMAOBGAAHSD17B10
SCHEMBL16208775 0.80 ERN1 (1.00) ERN1MAOAMAOBGAAHSD17B10
SCHEMBL17601894 0.75 ERN1 (0.49) ERN1MAOAMAOBSORT1CA9
SCHEMBL14924884 0.74 ERN1 (0.69) ERN1MAOAMAOBGAAGFER
SCHEMBL16197785 0.72 ERN1 (0.56) ERN1MAOAMAOBSORT1GAA
SCHEMBL30848862 0.71 ERN1 (0.46) ERN1MAOBCA9GAAHSD17B10
SCHEMBL17601906 0.68 ERN1 (0.47) ERN1MAOAMAOBCA9GAA

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 2 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

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-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ERN1 3/4885MAOA 4317/4885MAOB 3832/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 ERN1 3/4885MAOA 4317/4885MAOB 3832/4885

“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.