SCHEMBL23866225

SCHEMBL23866225

CC(C)(C)OC(=O)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
XBP1 P17861 1/20 0.48
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
EPHX1 P07099 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL30208027 0.84 TAS1R3 (0.48) NOTUMCA12CA1CA2CA9
SCHEMBL321308 0.83 NOTUM (0.79) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL357470 0.83 ALOX15 (0.45) NOTUMMAPTCA12CA1CA2
SCHEMBL17864531 0.82 CA12 (0.45) NOTUMHTTRAB9ALMNACA12
SCHEMBL29388368 0.82 CA12 (0.45) NOTUMHTTRAB9ALMNACA12
SCHEMBL14859498 0.82 NOTUM (0.44) NOTUMCA12CA1CA2CA9
SCHEMBL28946880 0.81 KIF11 (0.53) NOTUMLMNACA12CA1CA2
SCHEMBL30231213 0.81 KIF11 (0.53) NOTUMLMNACA12CA1CA2
SCHEMBL17495245 0.80 CA12 (0.46) NOTUMMAPTMEN1KMT2AHTT
SCHEMBL2609133 0.80 CA12 (0.50) NOTUMMAPTMEN1KMT2AHTT

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-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 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-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 NOTUM 3955/4885MAPT 4666/4885NPSR1 1993/4885

“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.