SCHEMBL269012

SCHEMBL269012

CC(C)(C)NC(=O)c1cccnc1CC(=O)C(Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
ACE P12821 2/20 0.41
CTSS P25774 9/20 0.40
CTSK P43235 8/20 0.40
CTSB P07858 4/20 0.38
CTSL P07711 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SCN9A Q15858 3/20 0.36
CYP3A4 P08684 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
SCHEMBL278005 0.89 SCN9A (0.45) PTPN1ACECTSSCTSKCTSB
SCHEMBL269249 0.87 SCN9A (0.48) PTPN1ACECTSSCTSKSCN9A
SCHEMBL277711 0.87 ACE (0.43) PTPN1ACECTSSCTSKCTSB
SCHEMBL277718 0.86 SCN9A (0.41) PTPN1ACECTSSCTSKSCN9A
SCHEMBL268932 0.86 ANO1 (0.43) PTPN1ACECTSSCTSKCTSL
SCHEMBL268422 0.86 CTSS (0.51) PTPN1CTSSCTSKSCN9ACYP3A4
SCHEMBL277955 0.86 CTSS (0.40) CTSSCTSKCTSLSCN9ACYP3A4
SCHEMBL267770 0.85 SCN9A (0.40) PTPN1ACECTSSCTSKSCN9A
SCHEMBL268520 0.84 KLK5 (0.41) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL269166 0.83 ACE (0.40) ACECTSSCTSKCTSBCTSL

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
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 PTPN1 785/4885ACE 135/4885CTSS 1680/4885

“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.