SCHEMBL269256

SCHEMBL269256

CC(C)(C)NC(=O)c1ccccc1CC(O)C(Cc1ccccn1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.41
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPRA P18433 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL268980 0.89 KLK5 (0.40) KLK5RENCTSDCTSEPSEN1
SCHEMBL20263078 0.82 KLK5 (0.47) KLK5RENCTSDCTSEPSEN1
SCHEMBL28588727 0.82 KLK5 (0.47) KLK5RENCTSDCTSEPSEN1
SCHEMBL269380 0.81 KLK5 (0.38) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL269379 0.81 KLK5 (0.38) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL267975 0.81 CTSS (0.50) KLK5RENCTSDCTSEPTPRA
SCHEMBL267976 0.81 CTSS (0.50) KLK5RENCTSDCTSEPTPRA
SCHEMBL268317 0.81 CTSS (0.44) KLK5SMN1; SMN2CTSSCTSK
SCHEMBL268318 0.81 CTSS (0.44) KLK5SMN1; SMN2CTSSCTSK
SCHEMBL28583820 0.80 PTPRA (0.46) KLK5RENCTSDCTSESMN1; SMN2

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 KLK5 3015/4885REN 126/4885CTSD 1900/4885

“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.