SCHEMBL986723

SCHEMBL986723

Cc1c([S+]([O-])c2ccc(C#N)cc2)cc(C(=O)NCCOCCOCCNC(=O)c2cc([S+]([O-])c3ccc(C#N)cc3)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.50
CYP2C9 P11712 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
SCHEMBL17378419 0.98 ELANE (0.48) ELANECYP2C9
SCHEMBL18880004 0.97 ELANE (0.48) ELANECYP2C9
SCHEMBL18880207 0.97 ELANE (0.48) ELANECYP2C9
SCHEMBL17378422 0.96 ELANE (0.47) ELANE
SCHEMBL17378417 0.96 ELANE (0.47) ELANE
SCHEMBL8223452 0.96 ELANE (0.47) ELANECYP2C9
SCHEMBL18880002 0.96 ELANE (0.49) ELANE
SCHEMBL17378416 0.96 ELANE (0.50) ELANE
SCHEMBL18880126 0.96 ELANE (0.49) ELANE
SCHEMBL18880215 0.96 ELANE (0.47) ELANECYP2C9

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 3 patents. 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 claimed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 US disclosed
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 ELANE 2/4885CYP2C9 536/4885

“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.