Sugi Predict

Sugi Predict / Compounds / SCHEMBL561882

SCHEMBL561882

SCHEMBL561882

CCOC(=O)c1cc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ NOTUM Q6P988 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ APP P05067 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ ELANE P08246 3/20 0.46
▸ GSR P00390 1/20 0.45
▸ BRD9 Q9H8M2 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL8229059 0.89 NOTUM (0.51) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL4157201 0.88 CYP1A2 (0.52) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL984085 0.85 NOTUM (0.64) CYP1A2NOTUMMAPTELANEGSR
SCHEMBL4157069 0.84 CYP1A2 (0.48) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL560905 0.84 NOTUM (0.49) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL4021797 0.84 NOTUM (0.49) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL27716691 0.84 NOTUM (0.53) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL560874 0.83 ELANE (0.57) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL2272178 0.82 ELANE (0.56) CYP1A2NOTUMALDH1A1ELANEBRD9
SCHEMBL4152986 0.80 ELANE (0.50) CYP1A2NOTUMMAPTELANEBRD9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 — — US disclosed
US-20120269872-A1 NOVEL SALT 628 ASTRAZENECA AB (SE) 2012-10-25 — — US disclosed
US-20120269872-A1 NOVEL SALT 628 ASTRAZENECA AB (SE) 2012-10-25 — — US disclosed
US-8232296-B2 Salt 628 ASTRAZENECA AB (SE) 2012-07-31 — — US disclosed
US-8232296-B2 Salt 628 ASTRAZENECA AB (SE) 2012-07-31 — — 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-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 — — US disclosed
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 — — US disclosed
EP-1663974-B1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2009-01-14 — — EP disclosed
CN-100439339-C 2-pyridone derivatives as netrophil elastase inhibitors and their use. ASTRAZENECA AB (SE) 2008-12-03 — — CN disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 — — EP disclosed
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use ASTRAZENECA AB (SE) 2007-08-30 — — US disclosed
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-02-22 — — US disclosed
CN-1882542-A 2-pyridone derivatives as inhibitors of neutrophil elastase and uses thereof ASTRAZENECA AB (SE) 2006-12-20 — — CN disclosed
CN-1856467-A 2-pyridone derivatives as inhibitors of neutrophil elastase and uses thereof ASTRAZENECA AB (SE) 2006-11-01 — — CN disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 — — 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 (6 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 CYP1A2 330/4885NPSR1 1537/4885CYP2C9 953/4885
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use SERPINB1, ELANE, SERPINE1 CYP1A2 309/4885NPSR1 1584/4885CYP2C9 884/4885
US-20120269872-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 CYP1A2 2967/4885NPSR1 2781/4885CYP2C9 2125/4885
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 CYP1A2 309/4885NPSR1 1584/4885CYP2C9 884/4885
US-20100216843-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 CYP1A2 3053/4885NPSR1 2412/4885CYP2C9 2360/4885
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO CYP1A2 388/4885NPSR1 768/4885CYP2C9 522/4885

“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.