SCHEMBL986660

SCHEMBL986660

CCOC(=O)c1cc(C#CC(OCC)OCC)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
NOTUM Q6P988 1/20 0.42
APP P05067 1/20 0.41
MAPT P10636 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ELANE P08246 6/20 0.41
GSR P00390 1/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4157201 0.80 CYP1A2 (0.52) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL561882 0.80 CYP1A2 (0.51) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL597180 0.78 MEN1 (0.42) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL560905 0.77 NOTUM (0.49) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL4157069 0.77 CYP1A2 (0.48) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL4021797 0.77 NOTUM (0.49) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL560874 0.76 ELANE (0.57) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL15766372 0.76 CTSK (0.46) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL15766614 0.76 CTSK (0.41) CYP2C9NPSR1CYP1A2CYP2C19NOTUM
SCHEMBL596606 0.76 CYP1A2 (0.40) CYP2C9NPSR1CYP1A2CYP2C19NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 US 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-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO CYP2C9 536/4885NPSR1 2947/4885CYP1A2 1008/4885

“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.