SCHEMBL4449580

SCHEMBL4449580

CC1=C(C(=O)O)[C@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.85
CYP2C9 P11712 6/20 0.85
ADRB1 P08588 1/20 0.65
HTR1A P08908 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
CYP3A4 P08684 1/20 0.64
CYP2C8 P10632 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL394085 1.00 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL394677 1.00 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL391816 0.92 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL395186 0.92 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245247 0.91 ELANE (0.84) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8347976 0.91 ELANE (0.84) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8347972 0.91 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL5107526 0.91 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL2679151 0.90 ELANE (0.70) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL18204106 0.90 ELANE (0.70) ELANECYP2C9ADRB1HTR1AHRH3

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
WO-2009135599-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-12 WO 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

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-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 3835/4885ADRB1 3972/4885

“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.