SCHEMBL8304076

SCHEMBL8304076

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)CC1C#N)C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
FAP Q12884 11/20 0.50
DPP7 Q9UHL4 8/20 0.50
DPP8 Q6V1X1 6/20 0.50
DPP9 Q86TI2 6/20 0.50

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
SCHEMBL3170213 1.00 DPP4 (0.61) DPP4FAPDPP7DPP8DPP9
SCHEMBL4797799 0.85 DPP4 (0.69) DPP4FAPDPP7DPP8DPP9
SCHEMBL15026111 0.84 DPP4 (0.71) DPP4FAPDPP7DPP8DPP9
SCHEMBL5201667 0.83 DPP4 (0.50) DPP4FAPDPP7DPP8DPP9
SCHEMBL5202268 0.80 DPP4 (0.48) DPP4FAPDPP7DPP8DPP9
SCHEMBL5201959 0.79 DPP4 (0.59) DPP4FAPDPP7DPP8DPP9
SCHEMBL5202988 0.79 DPP4 (0.59) DPP4FAPDPP7DPP8DPP9
SCHEMBL5206543 0.78 DPP4 (0.52) DPP4FAPDPP7DPP8DPP9
SCHEMBL5202254 0.78 DPP4 (0.51) DPP4FAPDPP7DPP8DPP9
Denagliptin SCHEMBL18815071 0.76 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462641-B2 (2S,4S)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-L-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-12-09 US disclosed
EP-1654226-B1 (2S,4S)-4-FLUORO-1- 4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL -2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof SMITHKLINE BEECHAM CORPORATION 2007-03-22 US disclosed
WO-2005009956-A1 (2S,4S)-4-FLUORO-1-[4-FLUORO-BETA-(4-FLUOROPHENYL)-L-PHENYLALANYL]-2-PYRROLIDINECARBONITRILE P-TOLUENESULFONIC ACID SALT AND ANHYDROUS CRYSTALLINE FORMS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 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 (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-20070066677-A1 (2S,4s)-4-fluoro-1-[4-fluoro-beta-(4-fluorophenyl)-I-phenylalanyl]-2-pyrrolidinecarbonitrile p-toluenesulfonic acid salt and anhydrous crystalline forms thereof PFAS, TTR, PNN DPP4 283/4885FAP 28/4885DPP7 943/4885

“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.