SCHEMBL268980

SCHEMBL268980

CC(C)(C)NC(=O)c1cccnc1CC(O)C(Cc1ccccn1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
PTPRA P18433 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
APP P05067 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL269256 0.89 KLK5 (0.41) KLK5SMN1; SMN2RENCTSDCTSE
SCHEMBL269379 0.88 KLK5 (0.38) KLK5SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL269380 0.88 KLK5 (0.38) KLK5SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL268318 0.87 CTSS (0.44) KLK5SMN1; SMN2
SCHEMBL268317 0.87 CTSS (0.44) KLK5SMN1; SMN2
SCHEMBL268222 0.86 KLK5 (0.42) KLK5SMN1; SMN2RENPSEN1PSEN2
SCHEMBL268221 0.86 KLK5 (0.42) KLK5SMN1; SMN2RENPSEN1PSEN2
SCHEMBL269138 0.84 KLK5 (0.43) KLK5SMN1; SMN2RENPSEN1PSEN2
SCHEMBL4113899 0.84 KLK5 (0.43) KLK5SMN1; SMN2RENPSEN1PSEN2
SCHEMBL269139 0.84 KLK5 (0.43) KLK5SMN1; SMN2RENPSEN1PSEN2

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 2 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-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 KLK5 3015/4885SMN1; SMN2 4330/4885REN 126/4885

“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.