SCHEMBL4022781

SCHEMBL4022781

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.63
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
ELANE P08246 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GSR P00390 2/20 0.41
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL29808797 0.91 NOTUM (0.76) NOTUMALDH1A1POLBCYP1A2ALKBH5
SCHEMBL5752612 0.91 NOTUM (0.76) NOTUMALDH1A1POLBCYP1A2ALKBH5
SCHEMBL4021797 0.86 NOTUM (0.49) NOTUMALDH1A1CYP1A2ELANELMNA
SCHEMBL4021451 0.85 ELANE (0.56) NOTUMALDH1A1POLBELANELMNA
SCHEMBL31028430 0.84 MEN1 (0.54) NOTUMALDH1A1POLBCYP1A2LMNA
SCHEMBL4023334 0.84 MEN1 (0.54) NOTUMALDH1A1POLBCYP1A2LMNA
SCHEMBL11895153 0.84 NOTUM (0.47) NOTUMALDH1A1CYP1A2ELANELMNA
SCHEMBL8065166 0.83 NOTUM (0.65) NOTUMPOLBCYP1A2ALKBH5ELANE
SCHEMBL11895074 0.83 CNR2 (0.53) NOTUMALDH1A1POLBELANELMNA
SCHEMBL11894963 0.83 CNR1 (0.51) NOTUMALDH1A1ELANE

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 6 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
EP-1663974-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026124-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 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-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 NOTUM 3343/4885ALDH1A1 1362/4885POLB 622/4885

“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.