SCHEMBL268971

SCHEMBL268971

CO[C@@H](Cc1ncccc1C(=O)NC(C)(C)C)[C@H](N)Cc1cc(Cl)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK8 P45983 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ANO1 Q5XXA6 8/20 0.35
ALPL P05186 1/20 0.33
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.32

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 SCHEMBL268251 0.99 POLB (0.36) POLBAPEX1MAPK8ALOX5APFEN1
SCHEMBL268636 0.90 POLB (0.42) POLBAPEX1MAPK8ALOX5APFEN1
SCHEMBL269090 0.88 POLB (0.39) POLBAPEX1MAPK8ALOX5APFEN1
Hydrochloric Acid SCHEMBL268978 0.88 POLB (0.38) POLBAPEX1MAPK8ALOX5APFEN1
SCHEMBL268086 0.86 LMNA (0.43) MAPK8ALOX5APFEN1SMN1; SMN2ANO1
SCHEMBL268084 0.85 POLB (0.41) POLBAPEX1MAPK8ALOX5APFEN1
SCHEMBL269028 0.81 POLB (0.39) POLBAPEX1MAPK8ALOX5APFEN1
SCHEMBL270158 0.81 DPP4 (0.40) POLBAPEX1ALOX5APFEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL270560 0.80 DPP4 (0.39) POLBAPEX1ALOX5APFEN1SMN1; SMN2
SCHEMBL269863 0.78 ANO1 (0.45) 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 3527/4885MAPK8 2799/4885

“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.