SCHEMBL4489361

SCHEMBL4489361

[CH2][C@@H](C(C)=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
ALOX5 P09917 1/20 0.54
AKR1C3 P42330 1/20 0.49
ACACB O00763 2/20 0.48
ACACA Q13085 2/20 0.48
NPY5R Q15761 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
GLI1 P08151 1/20 0.43
GLI2 P10070 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL4489363 1.00 PTGS1 (0.62) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL12608942 0.82 PTGS1 (0.84) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL28186246 0.81 PTGS1 (0.62) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL15943658 0.81 PTGS1 (0.62) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL3470624 0.78 HPGD (0.50) CYP2D6KMT2AALOX5HDAC8
SCHEMBL7939700 0.77 PTGS1 (0.62) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL7377688 0.77 PTGS1 (0.61) PTGS1MEN1CYP2D6KMT2AALOX5
R-Fenoprofen SCHEMBL4082 0.77 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
Fenoprofen SCHEMBL8754928 0.77 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
(S)-Fenoprofen SCHEMBL4492279 0.77 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5

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 PTGS1 664/4885MEN1 4882/4885CYP2D6 186/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 PTGS1 664/4885MEN1 4882/4885CYP2D6 186/4885

“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.