SCHEMBL4598490

SCHEMBL4598490

COc1ccc(C(=O)NC(C)(C)C)c(CC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
PTPN1 P18031 1/20 0.47
SCN9A Q15858 13/20 0.42
ACE P12821 1/20 0.39
TACR1 P25103 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4658244 0.90 CTSS (0.39) CTSSCTSKPTPN1ALDH1A1
SCHEMBL4598875 0.90 CTSS (0.52) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4658246 0.90 CTSS (0.39) CTSSCTSKPTPN1ALDH1A1
SCHEMBL4656187 0.89 CTSS (0.51) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4656188 0.89 CTSS (0.51) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4930745 0.84 CTSS (0.44) CTSSCTSKPTPN1SCN9AALDH1A1
SCHEMBL4930753 0.84 CTSS (0.44) CTSSCTSKPTPN1SCN9AALDH1A1
SCHEMBL4598159 0.84 CTSS (0.52) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4598248 0.83 CTSS (0.51) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4596925 0.80 CTSS (0.53) CTSSCTSKPTPN1SCN9AACE

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 2871/4885PTPN1 1239/4885

“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.