SCHEMBL20172636

SCHEMBL20172636

CC(C)c1ccc2oc(=O)n(CC(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
IDO1 P14902 7/20 0.43
KMO O15229 1/20 0.42
KMT2A Q03164 2/20 0.41
CD74 P04233 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL25462884 0.85 IDO1 (0.45) MIFIDO1KMOKMT2ACD74
SCHEMBL13341148 0.82 MIF (0.50) MIFPPARGPPARAIDO1KMT2A
SCHEMBL21991389 0.82 IDO1 (0.52) MIFIDO1KMT2ACD74MEN1
SCHEMBL16948384 0.81 KMT2A (0.60) MIFKMT2ACD74MEN1POLB
SCHEMBL16939101 0.79 KMO (0.52) MIFIDO1KMOKMT2ACD74
SCHEMBL16932344 0.78 IDO1 (0.64) IDO1KMO
SCHEMBL25865285 0.78 CBX7 (0.49) MIFIDO1KMOKMT2ACD74
SCHEMBL25095615 0.78 PPARG (0.46) MIFPPARGPPARAIDO1KMT2A
SCHEMBL21991037 0.77 ALDH1A1 (0.51) MIFKMOKMT2AMEN1POLB
SCHEMBL25613249 0.77 SIGMAR1 (0.49) MIFIDO1KMOKMT2AMEN1

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
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
EP-3744714-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS Astrazeneca AB (SE) 2020-12-02 EP disclosed
EP-3323814-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2018-05-23 EP 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-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 MIF 4062/4885PPARG 2103/4885PPARA 1628/4885

“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.