SCHEMBL8217872

SCHEMBL8217872

CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.83
▸ CYP2C9 P11712 6/20 0.83
▸ CYP3A4 P08684 3/20 0.57
▸ ADRB1 P08588 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL13872894 1.00 ELANE (0.83) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL8281837 0.95 ELANE (0.77) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872839 0.93 ELANE (0.79) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL14770285 0.92 ELANE (0.70) ELANECYP2C9CYP3A4
SCHEMBL8281825 0.92 ELANE (0.72) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL8346596 0.91 ELANE (0.76) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL1764353 0.91 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL392232 0.91 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL3482731 0.91 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL391844 0.91 ELANE (0.70) ELANECYP2C9CYP3A4ADRB1HTR1A

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 8 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-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 — — US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 — — US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 — — US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 — — US disclosed
WO-2008030158-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2008-03-13 — — WO disclosed
WO-2006136857-A1 DIHYDROPYRIMIDONE MULTIMERS AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 — — WO disclosed
WO-2006082412-A2 MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-08-10 — — 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 (3 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-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 3835/4885CYP3A4 2182/4885
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use MRM1, ME2, SDHA ELANE 293/4885CYP2C9 461/4885CYP3A4 216/4885
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 536/4885CYP3A4 332/4885

“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.

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