SCHEMBL21991389

SCHEMBL21991389

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.52
MIF P14174 3/20 0.47
KMT2A Q03164 2/20 0.45
CD74 P04233 2/20 0.44
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CBX7 O95931 2/20 0.39
CDYL Q9Y232 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39

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
SCHEMBL13341148 0.84 MIF (0.50) IDO1MIFKMT2ACD74MEN1
SCHEMBL16948291 0.82 KMT2A (0.64) MIFKMT2ACD74MEN1POLB
SCHEMBL20172636 0.82 MIF (0.46) IDO1MIFKMT2ACD74MEN1
SCHEMBL16932362 0.79 IDO1 (0.68) IDO1
SCHEMBL30537991 0.79 IDO1 (0.68) IDO1
SCHEMBL25095615 0.79 PPARG (0.46) IDO1MIFKMT2AMEN1
SCHEMBL16939103 0.79 KMO (0.48) IDO1MIFKMT2ACD74MEN1
SCHEMBL21991037 0.78 ALDH1A1 (0.51) MIFKMT2AMEN1POLBL3MBTL1
SCHEMBL25462884 0.78 IDO1 (0.45) IDO1MIFKMT2ACD74MEN1
SCHEMBL25613249 0.78 SIGMAR1 (0.49) IDO1MIFKMT2AMEN1POLB

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-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-3323814-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2020-05-13 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 IDO1 362/4885MIF 4062/4885KMT2A 1794/4885

“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.