SCHEMBL267976

SCHEMBL267976

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1F)[C@H](O)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
PTPN1 P18031 1/20 0.44
SCN9A Q15858 12/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
KLK5 Q9Y337 2/20 0.42
REN P00797 1/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
CCR1 P32246 1/20 0.40
PTPRA P18433 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL267975 1.00 CTSS (0.50) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL267858 0.83 CTSS (0.48) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL28588727 0.82 KLK5 (0.47) CTSSCTSKKLK5RENCTSD
SCHEMBL20263078 0.82 KLK5 (0.47) CTSSCTSKKLK5RENCTSD
SCHEMBL270553 0.82 CTSS (0.45) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL270554 0.82 CTSS (0.45) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL267981 0.81 CTSS (0.58) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL268318 0.81 CTSS (0.44) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL268317 0.81 CTSS (0.44) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL269256 0.81 KLK5 (0.41) CTSSCTSKKLK5RENCTSD

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 2589/4885PTPN1 785/4885

“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.