SCHEMBL5757450

SCHEMBL5757450

COc1cc(CNC(=O)c2ccc(C)n(-c3cccc(C#N)c3)c2=O)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
APEX1 P27695 1/20 0.44
ABCB1 P08183 2/20 0.43
KLKB1 P03952 2/20 0.42
KLK1 P06870 2/20 0.42
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
PDE2A O00408 1/20 0.39
LDHA P00338 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
TP53 P04637 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL5756216 0.92 ELANE (0.51) ELANEAPEX1KLKB1KLK1NOTUM
SCHEMBL5755853 0.89 ELANE (0.49) ELANEAPEX1KLKB1KLK1NOTUM
SCHEMBL5758041 0.88 SCN9A (0.47) ELANENOTUMALDH1A1TSHRROCK2
SCHEMBL5755885 0.87 ELANE (0.54) ELANEKLKB1KLK1NOTUMALDH1A1
SCHEMBL5759628 0.86 TOP2A (0.51) ELANEAPEX1KLKB1KLK1ALDH1A1
SCHEMBL5757098 0.86 GAA (0.51) ELANENOTUMALDH1A1TSHRTP53
SCHEMBL5757705 0.86 ELANE (0.55) ELANEKLKB1KLK1NOTUMALDH1A1
SCHEMBL5756911 0.85 ELANE (0.57) ELANEKLKB1KLK1NOTUMALDH1A1
SCHEMBL5756214 0.85 HTT (0.48) ELANENOTUMALDH1A1MAPK10MALT1
SCHEMBL5756339 0.85 LMNA (0.50) ALDH1A1TP53NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 ELANE 2/4885APEX1 1409/4885ABCB1 1758/4885

“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.