SCHEMBL270392

SCHEMBL270392

CON(C)C(=O)C(Cc1cc(F)ccc1C(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
SCN9A Q15858 11/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
TACR1 P25103 1/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL270313 0.89 JAK3 (0.48) JAK3BTKCTSSCTSKSCN9A
SCHEMBL268958 0.89 JAK3 (0.48) JAK3BTKCTSSCTSKSCN9A
SCHEMBL268540 0.87 JAK3 (0.46) JAK3BTKCTSSCTSKSCN9A
SCHEMBL270393 0.82 CTSS (0.51) CTSSCTSKSCN9ASCN10ACYP3A4
SCHEMBL269400 0.82 JAK3 (0.46) JAK3BTKCTSSCTSKSCN9A
SCHEMBL3989315 0.82 CTSS (0.60) JAK3BTKCTSSCTSKSCN9A
SCHEMBL3878792 0.82 CTSS (0.60) JAK3BTKCTSSCTSKSCN9A
SCHEMBL4598343 0.81 JAK3 (0.48) JAK3BTKCTSSCTSKSCN9A
SCHEMBL2851851 0.80 CTSS (0.63) JAK3BTKCTSSCTSKSCN9A
SCHEMBL5382110 0.80 CTSS (0.63) JAK3BTKCTSSCTSKSCN9A

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.