SCHEMBL4476827

SCHEMBL4476827

COC(=O)CC(=O)C(C)c1ccccc1OS(=O)(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LPAR1 Q92633 3/20 0.36
CA9 Q16790 1/20 0.35
PPARG P37231 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARA Q07869 1/20 0.34
GLS O94925 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
SCHEMBL4475825 0.76 SLC6A3 (0.51) POLBHTTNPSR1L3MBTL1
SCHEMBL4476825 0.75 CXCR2 (0.42) CA1CA12CA7CA14CA2
SCHEMBL5023591 0.75 CXCR2 (0.42) CA1CA12CA7CA14CA2
SCHEMBL2835291 0.70 CA1 (0.42) CA1CA2ACHEL3MBTL1LPAR1
SCHEMBL22187561 0.68 SMN1; SMN2 (0.50) CA1CA12CA2POLBL3MBTL1
SCHEMBL2830139 0.67 ALDH1A1 (0.46) CA1CA2ACHEHTTL3MBTL1
SCHEMBL11101537 0.66 MMP2 (0.47) CA1CA2ACHE
SCHEMBL2839036 0.66 MMP2 (0.47) CA1CA2ACHE
SCHEMBL10065826 0.66 HTT (0.46) POLBHTTNPSR1L3MBTL1LPAR1
SCHEMBL18151122 0.65 HTT (0.66) POLBHTTNPSR1L3MBTL1LPAR1

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 CA1 3807/4885CA12 4566/4885CA7 2571/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 CA1 3807/4885CA12 4566/4885CA7 2571/4885

“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.