SCHEMBL269302

SCHEMBL269302

COC(=O)C(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
CTSK P43235 4/20 0.51
SCN9A Q15858 4/20 0.51
TACR1 P25103 2/20 0.48
KLK5 Q9Y337 1/20 0.47
PTPN1 P18031 1/20 0.45
CACNA1B Q00975 1/20 0.41
CYP3A4 P08684 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ACE P12821 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KMT2A Q03164 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
SCHEMBL269301 1.00 CTSS (0.51) CTSSCTSKSCN9ATACR1KLK5
SCHEMBL31494602 0.90 CTSS (0.51) CTSSCTSKSCN9ATACR1KLK5
SCHEMBL30825582 0.89 TACR1 (0.49) CTSSCTSKSCN9ATACR1KLK5
SCHEMBL31703417 0.89 CTSS (0.50) CTSSCTSKSCN9ATACR1KLK5
SCHEMBL268952 0.89 PTPN1 (0.55) CTSSCTSKSCN9APTPN1ACE
SCHEMBL1509242 0.89 PTPN1 (0.55) CTSSCTSKSCN9APTPN1ACE
SCHEMBL268951 0.89 PTPN1 (0.55) CTSSCTSKSCN9APTPN1ACE
SCHEMBL1857532 0.88 CTSS (0.49) CTSSCTSKSCN9ATACR1KLK5
SCHEMBL30825581 0.88 TACR1 (0.48) CTSSCTSKSCN9ATACR1KLK5
SCHEMBL10249595 0.86 TACR1 (0.45) CTSSCTSKSCN9ATACR1KLK5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
EP-1910274-B1 PHENYL COMPOUNDS LILLY CO ELI (US) 2012-08-08 EP disclosed
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
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US 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
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP 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
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
EP-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 WO 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 (3 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
US-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 CTSS 1095/4885CTSK 2012/4885SCN9A 467/4885
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 CTSS 1680/4885CTSK 2589/4885SCN9A 1412/4885

“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.