SCHEMBL2896316

SCHEMBL2896316

COC(=O)[C@H](C)OC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1ccc(C#N)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.76
▸ CYP2C9 P11712 5/20 0.76
▸ ADRB1 P08588 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL8344736 1.00 ELANE (0.76) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8345606 0.93 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8344866 0.91 ELANE (0.79) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8344863 0.90 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL14760555 0.90 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8281825 0.89 ELANE (0.72) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL392232 0.87 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1764353 0.87 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL3482731 0.87 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL3482210 0.85 ELANE (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — 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-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 ELANE 59/4885CYP2C9 4171/4885ADRB1 158/4885

“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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