SCHEMBL269355

SCHEMBL269355

CON(C)C(=O)[C@@H](Cc1cccc(C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.52
BTK Q06187 1/20 0.52
CTSS P25774 7/20 0.50
CTSK P43235 6/20 0.50
CTSB P07858 4/20 0.50
CTSL P07711 2/20 0.49
ACE P12821 1/20 0.48
KLK5 Q9Y337 1/20 0.45
JAK2 O60674 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.42
S1PR4 O95977 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
SCHEMBL30714052 0.89 CTSL (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL29168032 0.89 CTSL (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL5382110 0.89 CTSS (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL30133708 0.89 CTSL (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL2851851 0.89 CTSS (0.63) JAK3BTKCTSSCTSKCTSB
SCHEMBL6557659 0.88 JAK3 (0.61) JAK3BTKCTSSCTSKCTSB
SCHEMBL22897236 0.88 JAK3 (0.50) JAK3BTKCTSSCTSKCTSB
SCHEMBL1204211 0.88 JAK3 (0.61) JAK3BTKCTSSCTSKCTSB
SCHEMBL23900518 0.88 CTSS (0.48) JAK3BTKCTSSCTSKCTSB
SCHEMBL30020472 0.88 CTSS (0.48) JAK3BTKCTSSCTSKCTSB

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 10 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
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-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
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US 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
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 JAK3 2514/4885BTK 4188/4885CTSS 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.