SCHEMBL16738432

SCHEMBL16738432

C=COc1ccccc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.39
PAX8 Q06710 1/20 0.38
BRD4 O60885 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LIPE Q05469 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX3 P56373 1/20 0.32
AKT1 P31749 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL27808345 0.82 LIPE (0.46) TSPOPAX8BRD4LIPEPOLB
SCHEMBL21084775 0.81 PAX8 (0.46) TSPOPAX8BRD4L3MBTL1NPSR1
SCHEMBL992563 0.79 TSPO (0.44) TSPOPAX8BRD4LIPENPSR1
SCHEMBL15054207 0.76 GPBAR1 (0.42) TSPOPAX8BRD4ADRA2BADRA2C
SCHEMBL30416821 0.76 TSPO (0.38) TSPOPAX8BRD4LIPENPSR1
SCHEMBL12117478 0.75 LIPE (0.43) PAX8BRD4LIPEALDH1A1
SCHEMBL24190075 0.75 PAX8 (0.40) TSPOPAX8BRD4L3MBTL1NPSR1
SCHEMBL30346189 0.75 PAX8 (0.40) TSPOPAX8BRD4L3MBTL1NPSR1
SCHEMBL6317211 0.74 MEN1 (0.41) TSPOPAX8BRD4L3MBTL1NPSR1
SCHEMBL13311040 0.74 PAX8 (0.41) TSPOPAX8BRD4L3MBTL1NPSR1

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR TSPO 727/4885PAX8 709/4885BRD4 2355/4885

“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.