SCHEMBL27174652

SCHEMBL27174652

CN(CCOc1ccc(C(=O)C(F)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.54
MLYCD O95822 8/20 0.45
DRD2 P14416 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
KAT6A Q92794 1/20 0.40
KAT5 Q92993 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL25171472 0.85 PDK2 (0.52) PDK2DRD2KDM4EPOLBL3MBTL1
SCHEMBL27174665 0.84 PDK2 (0.56) PDK2KAT6AKAT5KDM4EPOLB
SCHEMBL12745032 0.84 PDK2 (0.56) PDK2KAT6AKAT5KDM4EPOLB
SCHEMBL2432345 0.83 MAPT (0.59) PDK2DRD2KDM4EL3MBTL1
SCHEMBL21601541 0.82 PDK2 (0.54) PDK2DRD2KDM4EPOLBL3MBTL1
SCHEMBL8257865 0.82 PDK2 (0.54) PDK2KAT6AKAT5KDM4EPOLB
SCHEMBL7632127 0.82 KDM4E (0.52) MLYCDDRD2KDM4EPOLB
SCHEMBL21601216 0.81 PDK2 (0.53) PDK2KAT6AKAT5KDM4EPOLB
SCHEMBL991922 0.81 PDK2 (0.53) PDK2DRD2GPR119KAT6AKAT5
SCHEMBL8250703 0.81 PDK2 (0.53) PDK2KDM4EPOLBL3MBTL1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347568-A1 HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2024-04-10 EP disclosed
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS THE SCRIPPS RESEARCH INSTITUTE 2024-03-21 US disclosed
WO-2022251533-A1 HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2022-12-01 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-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS XBP1, HSPA5, DNAJC10 PDK2 933/4885MLYCD 988/4885DRD2 4103/4885

“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.