SCHEMBL4476825

SCHEMBL4476825

COC(=O)CC(=O)C(C)c1ccc(OS(=O)(=O)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.42
CXCR1 P25024 4/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
GPR88 Q9GZN0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.35
STS P08842 1/20 0.35
ACHE P22303 1/20 0.34
FAAH O00519 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL5023591 1.00 CXCR2 (0.42) CXCR2CXCR1CA12CA1CA2
SCHEMBL12129528 0.79 PTGS2 (0.49) CXCR2CXCR1LMNAPTGS2
SCHEMBL1819458 0.79 PTGS2 (0.49) CXCR2CXCR1LMNAPTGS2
SCHEMBL4476827 0.75 CA1 (0.39) CA12CA1CA2CA9HTT
SCHEMBL4481774 0.73 FAAH (0.64) CXCR2CXCR1LMNAPTGS2FAAH
SCHEMBL5015225 0.72 KMT2A (0.48) GPR88ALDH1A1MAPTKMT2A
SCHEMBL4475823 0.72 KMT2A (0.48) GPR88ALDH1A1MAPTKMT2A
SCHEMBL22187549 0.69 CA1 (0.61) CA12CA1CA2CA9KMT2A
SCHEMBL2834104 0.68 CXCR2 (0.50) CXCR2CXCR1CA12CA1CA2
SCHEMBL5016792 0.67 MCL1 (0.40) ALDH1A1KMT2A

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
US-9328057-B2 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE' FARMACEUTICI S.P.A. (IT) 2016-05-03 US claimed
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES DOMPE PHA.R.MA S.P.A. (IT) 2009-08-13 US claimed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP claimed
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US claimed
US-9328057-B2 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE' FARMACEUTICI S.P.A. (IT) 2016-05-03 US disclosed
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES DOMPE PHA.R.MA S.P.A. (IT) 2009-08-13 US disclosed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP disclosed
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US disclosed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP disclosed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 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-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases NR1H4, MMP8, NR1I2 CXCR2 83/4885CXCR1 392/4885CA12 4566/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 CXCR2 83/4885CXCR1 392/4885CA12 4566/4885

“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.