Sugi Predict

Sugi Predict / Compounds / SCHEMBL6698692

SCHEMBL6698692

SCHEMBL6698692

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C(F)(F)C1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.51
▸ AAK1 Q2M2I8 3/20 0.41
▸ GAA P10253 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ EPHX1 P07099 2/20 0.39
▸ CTSK P43235 2/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSL P07711 3/20 0.36
▸ ELANE P08246 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ CTSB P07858 1/20 0.34

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
SCHEMBL6698698 1.00 DPP4 (0.51) DPP4AAK1GAAHDAC4HDAC1
SCHEMBL6248952 0.85 DPP4 (0.55) DPP4AAK1GAAHDAC4HDAC1
SCHEMBL6248955 0.85 DPP4 (0.55) DPP4AAK1GAAHDAC4HDAC1
SCHEMBL12463556 0.84 EPHX1 (0.45) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL22501529 0.84 EPHX1 (0.45) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL6691173 0.83 DPP4 (0.50) DPP4AAK1GAAHDAC4HDAC1
SCHEMBL27348045 0.83 CALCRL (0.41) DPP4AAK1GAAHDAC4HDAC1
SCHEMBL24425262 0.81 HDAC4 (0.41) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL6809881 0.81 DPP4 (0.52) DPP4AAK1HDAC4HDAC1HDAC6
SCHEMBL6809878 0.81 DPP4 (0.52) DPP4AAK1HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242898-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds PFIZER INC 2004-12-02 — — US disclosed
US-6812350-B2 ANTIDIABETIC AGENTS; METABOLISM DISEASES; HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER INC. 2004-11-02 — — US disclosed
US-20040132713-A1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors PFIZER INC 2004-07-08 — — US disclosed
US-6710040-B1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors PFIZER INC. 2004-03-23 — — US disclosed
US-20040002609-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds PFIZER INC. 2004-01-01 — — US disclosed
WO-2003101449-A2 PROCESS FOR THE PREPARATION OF 3,3,4,4-TETRAFLUOROPYRROLIDINE AND DERIVATIVES THEREOF PFIZER PRODUCTS INC. (US) 2003-12-11 — — 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 (3 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-20040002609-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds DPP4, DPP3, DPP7 DPP4 1/4885AAK1 254/4885GAA 786/4885
US-20040132713-A1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors DPP4, ALPI, DPP7 DPP4 1/4885AAK1 281/4885GAA 660/4885
US-20040242898-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds DPP4, DPP3, DPP7 DPP4 1/4885AAK1 254/4885GAA 786/4885

“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.