SCHEMBL22648397

SCHEMBL22648397

CC(C)(C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 3/20 0.50
ADORA2A P29274 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 4/20 0.48
GAA P10253 2/20 0.48
AAK1 Q2M2I8 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL15553344 0.79 BRAF (0.58) RECQLSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL6528742 0.79 SMN1; SMN2 (0.52) RECQLSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL26633294 0.77 ADORA3 (0.51) RECQLSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL8518362 0.77 CYP1A2 (0.48) RECQLSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL13763337 0.76 TRPV1 (0.56) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL23518443 0.75 RAB9A (0.76) SMN1; SMN2MAPTNPSR1HPGDADORA2A
SCHEMBL19668020 0.74 RAB9A (0.51) RECQLSMN1; SMN2ALDH1A1MAPTADORA2A
SCHEMBL23518425 0.74 HPGD (0.63) SMN1; SMN2ALDH1A1MAPTNPSR1HPGD
SCHEMBL19678085 0.72 KIT (0.56) SMN1; SMN2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL12233658 0.72 KIF11 (0.44) RECQLSMN1; SMN2ALDH1A1MAPTNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 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 (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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 RECQL 1589/4885SMN1; SMN2 51/4885ALDH1A1 2682/4885

“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.