SCHEMBL8287682

SCHEMBL8287682

COC(=O)CN1C(=O)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)C1c1ccc(C#N)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.82
CYP2C9 P11712 4/20 0.82
CYP3A4 P08684 4/20 0.61

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
SCHEMBL4455135 0.94 ELANE (0.76) ELANECYP2C9CYP3A4
SCHEMBL1134161 0.92 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL8222586 0.92 ELANE (0.80) ELANECYP2C9CYP3A4
SCHEMBL1245224 0.91 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL3482543 0.91 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL3482560 0.90 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL13872730 0.89 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL13872728 0.89 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL13872033 0.88 ELANE (0.72) ELANECYP2C9CYP3A4
SCHEMBL16326620 0.88 ELANE (0.65) ELANECYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 US disclosed
US-20100184788-A1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 US disclosed
US-20100184788-A1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 US disclosed
WO-2005082863-A2 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 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 (2 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-20080021053-A1 Heterocyclic Derivatives TNNI3, CYP11B2, TNNT2 ELANE 132/4885CYP2C9 838/4885CYP3A4 650/4885
US-20100184788-A1 HETEROCYCLIC DERIVATIVES TNNI3, TNNT2, CYP11B2 ELANE 132/4885CYP2C9 854/4885CYP3A4 664/4885

“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.