SCHEMBL4021797

SCHEMBL4021797

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 3/20 0.46
GSR P00390 1/20 0.45
MAPT P10636 2/20 0.44
APP P05067 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ELANE P08246 3/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
GAA P10253 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
SCHEMBL4022781 0.86 NOTUM (0.63) NOTUMCYP1A2ALDH1A1GSRMAPT
SCHEMBL4157201 0.85 CYP1A2 (0.52) NOTUMNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL561882 0.84 CYP1A2 (0.51) NOTUMNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL560905 0.82 NOTUM (0.49) NOTUMNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4157069 0.82 CYP1A2 (0.48) NOTUMNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL560874 0.81 ELANE (0.57) NOTUMNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL4021451 0.81 ELANE (0.56) NOTUMALDH1A1ELANELMNA
SCHEMBL29875592 0.80 ELANE (0.53) NOTUMALDH1A1KDM4EELANE
SCHEMBL4023968 0.80 ELANE (0.53) NOTUMALDH1A1KDM4EELANE
SCHEMBL11895153 0.80 NOTUM (0.47) NOTUMNPSR1CYP1A2ALDH1A1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-02-22 US disclosed
CN-1856467-A 2-pyridone derivatives as inhibitors of neutrophil elastase and uses thereof ASTRAZENECA AB (SE) 2006-11-01 CN 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-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 NOTUM 3343/4885NPSR1 1584/4885CYP1A2 309/4885

“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.