SCHEMBL268270

SCHEMBL268270

COCNC(=O)[C@@H](Cc1ccccc1C)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.57
CTSK P43235 17/20 0.57
CTSB P07858 4/20 0.54
CTSL P07711 3/20 0.54
AKT1 P31749 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL269629 0.86 MAPT (0.49) CTSSCTSKCTSBCTSLMAPT
SCHEMBL3762221 0.84 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6746907 0.84 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL269930 0.83 ACE (0.58) CTSSCTSKCTSBCTSL
SCHEMBL873556 0.83 ACE (0.58) CTSSCTSKCTSBCTSL
SCHEMBL269929 0.83 ACE (0.58) CTSSCTSKCTSBCTSL
SCHEMBL9929887 0.81 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8894226 0.81 CTSS (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8397274 0.81 CTSS (0.53) CTSSCTSKCTSBCTSLMAPT
SCHEMBL269285 0.80 CTSS (0.56) CTSSCTSKCTSBCTSLMAPT

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 3 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

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 CTSS 1680/4885CTSK 2589/4885CTSB 2074/4885

“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.