SCHEMBL268222

SCHEMBL268222

CC(C)(C)NC(=O)c1cccnc1C[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.42
SCN9A Q15858 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APP P05067 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 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
SCHEMBL268221 1.00 KLK5 (0.42) KLK5SCN9APPARGPPARAPSEN1
SCHEMBL268520 0.89 KLK5 (0.41) KLK5SCN9APSEN1PSEN2APH1B
SCHEMBL268823 0.88 KLK5 (0.36) KLK5SCN9ASMN1; SMN2TRPA1MAPT
SCHEMBL269081 0.87 ANO1 (0.41) KLK5SCN9ATRPA1MAPTGAA
SCHEMBL269043 0.86 S1PR3 (0.37) KLK5SCN9ASMN1; SMN2MAPTGAA
SCHEMBL268980 0.86 KLK5 (0.40) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL269138 0.86 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL269139 0.86 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4113899 0.86 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL269828 0.84 SMN1; SMN2 (0.40) MEN1KMT2ACNR1CNR2SMN1; 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 3015/4885SCN9A 1412/4885PPARG 1158/4885

“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.