Sugi Predict

Sugi Predict / Compounds / SCHEMBL3161128

SCHEMBL3161128

SCHEMBL3161128

CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 1.00
▸ FAP Q12884 12/20 1.00
▸ DPP7 Q9UHL4 5/20 0.73
▸ DPP8 Q6V1X1 1/20 0.54
▸ DPP9 Q86TI2 1/20 0.54

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
Hydrochloric Acid SCHEMBL3156868 0.99 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
SCHEMBL3156933 0.92 DPP4 (1.00) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL3151253 0.91 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3164300 0.90 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL6751893 0.89 DPP4 (0.80) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3160256 0.89 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5549130 0.89 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
SCHEMBL3167567 0.88 DPP4 (0.79) DPP4FAPDPP7DPP8DPP9
SCHEMBL3165884 0.85 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL3158104 0.85 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9

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
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 — — EP claimed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 — — EP claimed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 — — WO claimed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 — — EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 — — WO disclosed