SCHEMBL21456723

SCHEMBL21456723

CCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C1(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IDH1 O75874 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL19216545 0.88 IDH1 (0.51) POLBTSHRALDH1A1MAPTTP53
SCHEMBL19899881 0.88 MAPT (0.50) POLBTSHRALDH1A1MAPTTP53
SCHEMBL19900058 0.87 POLB (0.65) POLBTSHRALDH1A1MAPTGAA
SCHEMBL23758540 0.83 TSHR (0.52) POLBTSHRALDH1A1MAPTTDP1
SCHEMBL19899924 0.83 ALDH1A1 (0.53) POLBTSHRALDH1A1MAPTTDP1
SCHEMBL16448979 0.83 TSHR (0.66) POLBTSHRALDH1A1MAPTTP53
SCHEMBL19900216 0.83 MAPT (0.48) POLBTSHRALDH1A1MAPTTP53
SCHEMBL30438165 0.83 MAPT (0.48) POLBTSHRALDH1A1MAPTTP53
SCHEMBL19216902 0.80 IDH1 (0.41) ALDH1A1MAPTTP53TDP1HPGD
SCHEMBL16230424 0.79 GHSR (0.52) POLBTSHRALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2021-08-17 US disclosed
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. 2019-10-10 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 (4 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-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 POLB 3462/4885TSHR 180/4885ALDH1A1 968/4885
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 POLB 3462/4885TSHR 180/4885ALDH1A1 968/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 POLB 3462/4885TSHR 180/4885ALDH1A1 968/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 POLB 3462/4885TSHR 180/4885ALDH1A1 968/4885

“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.