SCHEMBL16197846

SCHEMBL16197846

CC(CNC(=O)O)c1cc(=O)oc2c(C=O)c(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.58
MAOB P27338 8/20 0.46
SORT1 Q99523 1/20 0.44
MAOA P21397 5/20 0.42
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MCL1 Q07820 2/20 0.40
MGAM O43451 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
SI P14410 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 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
SCHEMBL16197785 0.87 ERN1 (0.56) ERN1MAOBSORT1MAOAGAA
SCHEMBL30848910 0.84 ERN1 (0.68) ERN1MAOBSORT1MAOAGAA
SCHEMBL14924884 0.81 ERN1 (0.69) ERN1MAOBMAOAGAAKDM4E
SCHEMBL16197973 0.78 ERN1 (0.69) ERN1MAOBMAOAGAAKDM4E
SCHEMBL16197957 0.78 HSD17B3 (0.52) MAOBMAOAGAAKDM4EALDH1A1
SCHEMBL17601894 0.77 ERN1 (0.49) ERN1MAOBSORT1MAOAGAA
SCHEMBL16197777 0.76 ERN1 (0.70) ERN1MAOBMAOAGAAKDM4E
SCHEMBL14398970 0.75 ERN1 (1.00) ERN1MAOBMAOAGAAKDM4E
SCHEMBL30848924 0.72 ERN1 (0.66) ERN1MAOBMAOAKDM4EALDH1A1
SCHEMBL17615417 0.72 ERN1 (0.71) ERN1MAOBGAAKDM4EALDH1A1

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-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
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 (1 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 3/4885MAOB 3832/4885SORT1 4665/4885

“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.