SCHEMBL13986697

SCHEMBL13986697

Cc1ccc(C(c2ccc(F)cc2)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.89
FAP Q12884 10/20 0.62
DPP8 Q6V1X1 10/20 0.62
DPP9 Q86TI2 10/20 0.62
DPP7 Q9UHL4 9/20 0.62

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
Denagliptin SCHEMBL2552817 0.94 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL18815071 0.94 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL682185 0.94 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL1035624 0.94 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL987759 0.94 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL3151455 0.93 DPP4 (0.98) DPP4FAPDPP8DPP9DPP7
Denagliptin SCHEMBL4801510 0.92 DPP4 (0.76) DPP4FAPDPP8DPP9DPP7
SCHEMBL12350113 0.84 DPP4 (0.77) DPP4FAPDPP8DPP9DPP7
SCHEMBL5549926 0.84 DPP4 (0.80) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL3157260 0.83 DPP4 (0.79) DPP4FAPDPP8DPP9DPP7

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 2 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
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

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 28/4885DPP8 1530/4885

“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.