SCHEMBL268699

SCHEMBL268699

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
CTSS P25774 5/20 0.54
CTSK P43235 5/20 0.54
ACE P12821 2/20 0.51
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
SCN9A Q15858 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
PPARD Q03181 2/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL268951 0.89 PTPN1 (0.55) PTPN1CTSSCTSKACEPPARA
SCHEMBL268952 0.89 PTPN1 (0.55) PTPN1CTSSCTSKACEPPARA
SCHEMBL1509242 0.89 PTPN1 (0.55) PTPN1CTSSCTSKACEPPARA
SCHEMBL268518 0.88 CTSS (0.49) PTPN1CTSSCTSKACEPPARA
SCHEMBL14940198 0.87 PTPN1 (0.53) PTPN1CTSSCTSKACEPPARA
SCHEMBL27207410 0.86 ACE (0.52) PTPN1CTSSCTSKACEPPARA
SCHEMBL27203736 0.86 ACE (0.52) PTPN1CTSSCTSKACEPPARA
SCHEMBL1748990 0.85 ACE (0.53) PTPN1CTSSCTSKACEPPARA
SCHEMBL1748989 0.85 ACE (0.53) PTPN1CTSSCTSKACEPPARA
SCHEMBL1509374 0.85 PTPN1 (0.53) PTPN1CTSSCTSKACEPPARA

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 785/4885CTSS 1680/4885CTSK 2589/4885

“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.