SCHEMBL3156933

SCHEMBL3156933

COc1cccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
FAP Q12884 10/20 1.00
DPP7 Q9UHL4 3/20 0.69

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 SCHEMBL3151253 0.99 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3161128 0.92 DPP4 (1.00) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL3156868 0.91 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL6832198 0.90 DPP4 (1.00) DPP4FAPDPP7
SCHEMBL6860819 0.90 DPP4 (1.00) DPP4FAPDPP7
SCHEMBL5987446 0.90 DPP4 (1.00) DPP4FAPDPP7
SCHEMBL3165078 0.90 DPP4 (1.00) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL356162 0.89 DPP4 (0.98) DPP4FAPDPP7
Hydrochloric Acid SCHEMBL295498 0.89 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3164300 0.88 DPP4 (1.00) DPP4FAPDPP7

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
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-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
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