SCHEMBL984085

SCHEMBL984085

Cc1c(I)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.64
POLB P06746 1/20 0.47
ELANE P08246 2/20 0.47
CYP1A2 P05177 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.45
CFTR P13569 2/20 0.43
BRD9 Q9H8M2 1/20 0.43
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PLA2G10 O15496 1/20 0.41
GSR P00390 1/20 0.41

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
SCHEMBL27716691 0.89 NOTUM (0.53) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL29808797 0.89 NOTUM (0.76) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL5752612 0.89 NOTUM (0.76) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL2272178 0.87 ELANE (0.56) NOTUMPOLBELANECYP1A2BRD9
SCHEMBL8229059 0.87 NOTUM (0.51) NOTUMELANECYP1A2CFTRBRD9
SCHEMBL8065166 0.86 NOTUM (0.65) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL561882 0.85 CYP1A2 (0.51) NOTUMELANECYP1A2BRD9MAPT
SCHEMBL4152306 0.84 NOTUM (0.62) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL560810 0.83 NOTUM (0.61) NOTUMPOLBELANECYP1A2ALKBH5
SCHEMBL8063220 0.83 NOTUM (0.61) NOTUMPOLBELANECYP1A2ALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144998-A1 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2017-05-25 US disclosed
US-20170144998-A1 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2017-05-25 US disclosed
WO-2015200349-A2 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-30 WO disclosed
US-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 US disclosed
US-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 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-20120269872-A1 NOVEL SALT 628 ASTRAZENECA AB (SE) 2012-10-25 US disclosed
CN-102639505-A Pyridin-2-one compounds as inhibitors of neutrophil elastase ASTRAZENECA AB 2012-08-15 CN disclosed
US-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 US disclosed
US-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 US disclosed
US-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 US disclosed
WO-2010094964-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD ASTRAZENECA AB (SE) 2010-08-26 WO disclosed
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
WO-2009037413-A1 DIMERS OF 5- [ (4-CYANOPHENYL) SULFINYL] -6-METHYL-2-OXO-1- [3- (TRIFLUOROMETHYL)PHENYL] -1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE FOR TREATING RESPIRATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-03-26 WO disclosed
CN-101142189-A 2-pyridine derivatives as inhibitors of neutrophile elastase ASTRAZENECA AB (SE) 2008-03-12 CN disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2007107706-A2 DIMERS OF HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF COPD ARGENTA DISCOVERY LIMITED (GB) 2007-09-27 WO 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 (4 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-20120269872-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 NOTUM 1286/4885POLB 2985/4885ELANE 1755/4885
US-20100216843-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 NOTUM 1275/4885POLB 2558/4885ELANE 2508/4885
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO NOTUM 2923/4885POLB 1396/4885ELANE 2/4885
US-20170144998-A1 ELASTASE INHIBITORS SERPINB1, ELANE, CELA1 NOTUM 551/4885POLB 463/4885ELANE 2/4885

“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.