SCHEMBL4596925

SCHEMBL4596925

Cc1cccc(CC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)c1C(=O)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 4/20 0.53
SCN9A Q15858 13/20 0.45
PTPN1 P18031 1/20 0.43
ACE P12821 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40

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
SCHEMBL4598158 0.90 CTSS (0.52) CTSSCTSKSCN9APTPN1ACE
SCHEMBL4598159 0.83 CTSS (0.52) CTSSCTSKSCN9APTPN1ACE
SCHEMBL4917998 0.83 CTSS (0.46) CTSSCTSKSCN9APTPN1SCN10A
SCHEMBL4917991 0.83 CTSS (0.46) CTSSCTSKSCN9APTPN1SCN10A
SCHEMBL4598875 0.82 CTSS (0.52) CTSSCTSKSCN9APTPN1ACE
SCHEMBL4656187 0.81 CTSS (0.51) CTSSCTSKSCN9APTPN1ACE
SCHEMBL4598248 0.81 CTSS (0.51) CTSSCTSKSCN9APTPN1ACE
SCHEMBL4656188 0.81 CTSS (0.51) CTSSCTSKSCN9APTPN1ACE
SCHEMBL4598490 0.80 CTSS (0.50) CTSSCTSKSCN9APTPN1ACE
SCHEMBL268422 0.79 CTSS (0.51) CTSSCTSKSCN9APTPN1SCN10A

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-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-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

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 CTSS 2054/4885CTSK 2871/4885SCN9A 990/4885

“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.