SCHEMBL24435930

SCHEMBL24435930

N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(NS(=O)(=O)CCC(F)(F)F)c(F)c3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 20/20 0.54
MAPK10 P53779 9/20 0.51

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
SCHEMBL29633594 1.00 ERN1 (0.54) ERN1MAPK10
SCHEMBL29633607 0.93 ERN1 (0.52) ERN1MAPK10
SCHEMBL24435785 0.93 ERN1 (0.52) ERN1MAPK10
SCHEMBL24435821 0.93 ERN1 (0.52) ERN1MAPK10
SCHEMBL25072021 0.88 ERN1 (0.69) ERN1MAPK10
SCHEMBL21910013 0.88 ERN1 (0.69) ERN1MAPK10
SCHEMBL30143050 0.88 ERN1 (0.69) ERN1MAPK10
Hydrochloric Acid SCHEMBL27237818 0.87 ERN1 (0.69) ERN1MAPK10
Hydrochloric Acid SCHEMBL27237812 0.87 ERN1 (0.69) ERN1MAPK10
SCHEMBL24439288 0.85 ERN1 (0.47) ERN1MAPK10

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-20220153723-A1 IRE1ALPHA INHIBITORS AND USES THEREOF UNIVERSITY OF WASHINGTON 2022-05-19 US disclosed
WO-2022104151-A1 IRE1ALPHA INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-19 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-20220153723-A1 IRE1ALPHA INHIBITORS AND USES THEREOF XBP1, ERN2, ERN1 ERN1 3/4885MAPK10 1017/4885

“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.