SCHEMBL561120

SCHEMBL561120

COc1coc(CNC(=O)c2cc(-c3ccccc3)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.46
GAA P10253 1/20 0.40
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CCR1 P32246 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL31490105 1.00 ELANE (0.46) ELANEGAANOTUMALDH1A1MEN1
SCHEMBL4021296 0.87 ELANE (0.43) ELANENOTUMALDH1A1MEN1CYP1A2
SCHEMBL5757578 0.85 ELANE (0.59) ELANENOTUMALDH1A1MEN1CYP1A2
SCHEMBL5435722 0.85 PLA2G10 (0.43) ELANEALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL561111 0.80 ELANE (0.52) ELANENOTUMMAPTLMNATSHR
SCHEMBL561729 0.80 CHRNB2 (0.55) ELANENOTUMCCR1
SCHEMBL31490174 0.80 ELANE (0.52) ELANENOTUMMAPTLMNATSHR
SCHEMBL561309 0.79 ELANE (0.54) ELANECCR1PPARA
SCHEMBL31490347 0.79 ELANE (0.54) ELANECCR1PPARA
SCHEMBL31490157 0.79 ELANE (0.49) ELANENOTUMMAPTCCR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501784-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2013-08-06 US claimed
EP-1663973-B3 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2019-09-25 EP disclosed
EP-1663973-B1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2013-12-25 EP disclosed
US-8501784-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2013-08-06 US disclosed
US-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-8063073-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2011-11-22 US disclosed
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use ASTRAZENECA AB (SE) 2007-08-30 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 (2 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-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE SERPINB1, ELANE, SERPINE1 ELANE 2/4885GAA 1032/4885NOTUM 3528/4885
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use SERPINB1, ELANE, SERPINE1 ELANE 2/4885GAA 1057/4885NOTUM 3343/4885

“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.