SCHEMBL8217868

SCHEMBL8217868

Cc1c([S+]([O-])c2ccc(F)cc2)cc(C(=O)NCCCNc2nc(NCCCNC(=O)c3cc([S+]([O-])c4ccc(F)cc4)c(C)n(-c4cccc(C(F)(F)F)c4)c3=O)nc(NCCCNC(=O)c3cc([S+]([O-])c4ccc(F)cc4)c(C)n(-c4cccc(C(F)(F)F)c4)c3=O)n2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.41
KDM4E B2RXH2 2/20 0.40
CCR1 P32246 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.37
NPY5R Q15761 1/20 0.37
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
THRB P10828 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
TP53BP1 Q12888 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL8218349 0.93 ELANE (0.40) ELANEKDM4ECCR1NPSR1SMN1; SMN2
SCHEMBL8218336 0.89 ELANE (0.43) ELANEKDM4ECCR1NPSR1SMN1; SMN2
SCHEMBL4137945 0.86 ELANE (0.45) ELANEKDM4ECCR1NPSR1SMN1; SMN2
SCHEMBL4125906 0.84 ELANE (0.49) ELANEKDM4ECCR1NPSR1SMN1; SMN2
SCHEMBL8210565 0.83 ELANE (0.43) ELANEKDM4ECCR1SMN1; SMN2MAPT
SCHEMBL16328987 0.82 ELANE (0.55) ELANE
SCHEMBL8220444 0.82 NOTUM (0.53) ELANECCR1SMN1; SMN2MAPTNPY5R
SCHEMBL12922346 0.81 ELANE (0.53) ELANE
SCHEMBL8218340 0.81 NOTUM (0.44) ELANECCR1SMN1; SMN2MAPTNPY5R
SCHEMBL8065761 0.81 KDM4E (0.42) ELANEKDM4ESMN1; SMN2MAPTNOTUM

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 disclosed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 US disclosed
WO-2008030158-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2008-03-13 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-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO ELANE 2/4885KDM4E 3597/4885CCR1 298/4885

“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.