SCHEMBL4923233

SCHEMBL4923233

CC(C)(C)NC(=O)c1ccc(F)cc1C[C@H](O)[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
KLK5 Q9Y337 3/20 0.41
PTPN1 P18031 1/20 0.41
SCN9A Q15858 10/20 0.39
CCR1 P32246 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL4923240 1.00 CTSS (0.46) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4924346 0.91 CTSS (0.44) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4924335 0.91 CTSS (0.44) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4930745 0.90 CTSS (0.44) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4930753 0.90 CTSS (0.44) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4926793 0.89 ANO1 (0.40) CTSSCTSKKLK5SCN9AANO1
SCHEMBL4926805 0.89 ANO1 (0.40) CTSSCTSKKLK5SCN9AANO1
SCHEMBL4926670 0.86 CTSS (0.45) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4926663 0.86 CTSS (0.45) CTSSCTSKKLK5PTPN1SCN9A
SCHEMBL4923188 0.85 CTSS (0.44) CTSSCTSKKLK5PTPN1SCN9A

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 3 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

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 2871/4885KLK5 3364/4885

“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.