SCHEMBL4597047

SCHEMBL4597047

Cc1ccc(C(=O)NC(C)(C)C)c(C[C@H](O)[C@H](N)Cc2cc(F)c(F)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.42
DPP8 Q6V1X1 5/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
DPP9 Q86TI2 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
CYP2D6 P10635 3/20 0.36
FAP Q12884 1/20 0.35
SYK P43405 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL4608887 0.99 DPP4 (0.41) DPP4DPP8POLBAPEX1DPP9
SCHEMBL4596947 0.89 ANO1 (0.45) DPP4DPP8POLBAPEX1DPP9
Hydrochloric Acid SCHEMBL4656244 0.89 ANO1 (0.44) DPP4DPP8POLBAPEX1DPP9
SCHEMBL14826762 0.89 ALOX5AP (0.42) DPP4DPP8POLBAPEX1DPP9
Hydrochloric Acid SCHEMBL4611074 0.89 ANO1 (0.44) DPP4DPP8POLBAPEX1DPP9
SCHEMBL4919668 0.84 KLK5 (0.37) DPP4DPP8POLBAPEX1HDAC1
SCHEMBL4919653 0.84 KLK5 (0.37) DPP4DPP8POLBAPEX1HDAC1
SCHEMBL4598495 0.80 ANO1 (0.44) DPP4DPP8POLBAPEX1DPP9
SCHEMBL270299 0.80 DPP4 (0.39) DPP4DPP8POLBAPEX1DPP9
SCHEMBL14769533 0.80 DPP4 (0.39) DPP4DPP8POLBAPEX1DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910274-B1 PHENYL COMPOUNDS LILLY CO ELI (US) 2012-08-08 EP disclosed
EP-1910274-B1 PHENYL COMPOUNDS LILLY CO ELI (US) 2012-08-08 EP disclosed
US-8076514-B2 Dipeptidyl peptidase IV inhibitors; Type II diabetes; 2-[(2S,3R)-3-Amino-2-hydroxy-4-(2,4,5-trifluoro-phenyl)-butyl]-N-tert-butyl-4-chloro-benzamide Hydrochloride ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
US-8076514-B2 Dipeptidyl peptidase IV inhibitors; Type II diabetes; 2-[(2S,3R)-3-Amino-2-hydroxy-4-(2,4,5-trifluoro-phenyl)-butyl]-N-tert-butyl-4-chloro-benzamide Hydrochloride ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
US-8076514-B2 Dipeptidyl peptidase IV inhibitors; Type II diabetes; 2-[(2S,3R)-3-Amino-2-hydroxy-4-(2,4,5-trifluoro-phenyl)-butyl]-N-tert-butyl-4-chloro-benzamide Hydrochloride ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
US-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes ELI LILLY AND COMPANY 2008-09-11 US disclosed
US-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes ELI LILLY AND COMPANY 2008-09-11 US disclosed
US-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes ELI LILLY AND COMPANY 2008-09-11 US disclosed
EP-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes DPP4, GPR119, SLC5A2 DPP4 1/4885DPP8 22/4885POLB 3202/4885

“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.