SCHEMBL269090

SCHEMBL269090

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cc(Cl)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ANO1 Q5XXA6 10/20 0.36
ALPL P05186 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK8 P45983 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
Hydrochloric Acid SCHEMBL268978 0.99 POLB (0.38) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL268084 0.96 POLB (0.41) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL269028 0.93 POLB (0.39) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL270158 0.92 DPP4 (0.40) POLBAPEX1ALOX5APFEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL270560 0.92 DPP4 (0.39) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL269863 0.90 ANO1 (0.45) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL268950 0.90 POLB (0.45) POLBAPEX1ALOX5APFEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL3987420 0.89 ANO1 (0.44) POLBAPEX1ALOX5APFEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL267380 0.89 ANO1 (0.44) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL268789 0.89 ANO1 (0.40) POLBAPEX1ALOX5APFEN1SMN1; 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 5 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
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 WO 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 POLB 3975/4885APEX1 3527/4885ALOX5AP 3715/4885

“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.