SCHEMBL270655

SCHEMBL270655

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
CTSS P25774 11/20 0.47
CTSK P43235 10/20 0.47
CTSB P07858 4/20 0.44
CTSL P07711 2/20 0.44
ACE P12821 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
KLK5 Q9Y337 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 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
SCHEMBL3878792 0.87 CTSS (0.60) PTPN1JAK3BTKCTSSCTSK
SCHEMBL3989315 0.87 CTSS (0.60) PTPN1JAK3BTKCTSSCTSK
SCHEMBL2851851 0.86 CTSS (0.63) PTPN1JAK3BTKCTSSCTSK
SCHEMBL5382110 0.86 CTSS (0.63) PTPN1JAK3BTKCTSSCTSK
SCHEMBL476152 0.85 JAK3 (0.48) PTPN1JAK3BTKCTSSCTSK
SCHEMBL476153 0.85 JAK3 (0.48) PTPN1JAK3BTKCTSSCTSK
SCHEMBL6345086 0.85 JAK3 (0.51) JAK3BTKCTSSCTSKCTSB
SCHEMBL268923 0.85 JAK3 (0.51) JAK3BTKCTSSCTSKCTSB
SCHEMBL4598343 0.84 JAK3 (0.48) PTPN1JAK3BTKCTSSCTSK
SCHEMBL9963893 0.84 CTSS (0.60) 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 11 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
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 PTPN1 785/4885JAK3 2514/4885BTK 4188/4885

“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.