SCHEMBL269165

SCHEMBL269165

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 4/20 0.37
HDAC1 Q13547 2/20 0.37
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
USP30 Q70CQ3 1/20 0.36
REN P00797 3/20 0.35
SCN9A Q15858 2/20 0.35
CYP3A4 P08684 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
SCHEMBL269166 1.00 ACE (0.40) ACESMN1; SMN2HDAC6HDAC1CTSS
SCHEMBL277941 0.87 ANO1 (0.39) ACESMN1; SMN2CTSSCTSKSCN9A
SCHEMBL268422 0.86 CTSS (0.51) CTSSCTSKSCN9ACYP3A4
SCHEMBL278005 0.85 SCN9A (0.45) ACECTSSCTSKCTSLCTSB
SCHEMBL268980 0.84 KLK5 (0.40) SMN1; SMN2REN
SCHEMBL277711 0.84 ACE (0.43) ACECTSSCTSKCTSLCTSB
SCHEMBL277671 0.83 SMN1; SMN2 (0.40) ACESMN1; SMN2CTSSCTSKSCN9A
SCHEMBL269012 0.83 PTPN1 (0.42) ACECTSSCTSKCTSLCTSB
SCHEMBL268438 0.82 SCN9A (0.40) ACESMN1; SMN2CTSLSCN9ACYP3A4
SCHEMBL269249 0.82 SCN9A (0.48) ACECTSSCTSKSCN9ACYP3A4

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 ACE 135/4885SMN1; SMN2 4330/4885HDAC6 1176/4885

“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.