SCHEMBL268520

SCHEMBL268520

CC(C)(C)NC(=O)c1cccnc1CC(O)C(Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.41
PTPN1 P18031 1/20 0.37
BACE1 P56817 3/20 0.35
CTSD P07339 1/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
APP P05067 1/20 0.34
GPR6 P46095 1/20 0.34
PDPK1 O15530 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SCN9A Q15858 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL268222 0.89 KLK5 (0.42) KLK5BACE1SMN1; SMN2PSEN1PSEN2
SCHEMBL268221 0.89 KLK5 (0.42) KLK5BACE1SMN1; SMN2PSEN1PSEN2
SCHEMBL268704 0.87 SCN9A (0.43) KLK5PTPN1CTSSCTSKSMN1; SMN2
SCHEMBL269138 0.87 KLK5 (0.43) KLK5BACE1CTSSCTSKSMN1; SMN2
SCHEMBL4113899 0.87 KLK5 (0.43) KLK5BACE1CTSSCTSKSMN1; SMN2
SCHEMBL269139 0.87 KLK5 (0.43) KLK5BACE1CTSSCTSKSMN1; SMN2
SCHEMBL268240 0.86 SCN9A (0.36) KLK5PTPN1CTSSCTSKSMN1; SMN2
SCHEMBL269081 0.86 ANO1 (0.41) KLK5PTPN1CTSSCTSKSCN9A
SCHEMBL268317 0.86 CTSS (0.44) KLK5PTPN1CTSSCTSKSMN1; SMN2
SCHEMBL268318 0.86 CTSS (0.44) KLK5PTPN1CTSSCTSKSMN1; 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 3015/4885PTPN1 785/4885BACE1 610/4885

“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.