SCHEMBL30195034

SCHEMBL30195034

CS(=O)(=O)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
PPARG P37231 2/20 0.44
TERT O14746 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6938292 1.00 CA2 (0.47) CA2CA12CA1CA9PPARG
SCHEMBL3797076 0.92 CA2 (0.51) CA2CA12CA1CA9TERT
Biphenyl SCHEMBL6059003 0.89 PPARG (0.54) CA2CA12CA1CA9PPARG
SCHEMBL3671006 0.87 CA2 (0.51) CA2CA12CA1CA9PPARG
SCHEMBL3679853 0.86 CA12 (0.50) CA2CA12PPARGALDH1A1
SCHEMBL3838916 0.83 CA2 (0.60) CA2CA1CA9PPARGALDH1A1
SCHEMBL19592223 0.83 CA12 (0.44) CA2CA12RXRARXRB
SCHEMBL3669919 0.82 CA2 (0.54) CA2CA12CA1CA9PPARG
SCHEMBL2058243 0.82 CA2 (0.64) CA2CA12CA1CA9PPARG
SCHEMBL12474260 0.81 CA2 (0.50) CA2CA12CA1CA9RXRA

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-20230278969-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-09-07 US disclosed
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-20 US disclosed
US-20230062646-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-03-02 US disclosed
US-20230025351-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-01-26 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 (5 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-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 CA2 228/4885CA12 949/4885CA1 1085/4885
US-20230062646-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 CA2 228/4885CA12 949/4885CA1 1085/4885
US-20230025351-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 CA2 236/4885CA12 968/4885CA1 1091/4885
US-20230278969-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 CA2 236/4885CA12 968/4885CA1 1091/4885
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 CA2 228/4885CA12 949/4885CA1 1085/4885

“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.