SCHEMBL4465718

SCHEMBL4465718

CC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.84
PTGS2 P35354 6/20 0.84
MAPT P10636 5/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
ALDH1A1 P00352 3/20 0.84
LMNA P02545 3/20 0.84
CXCR1 P25024 2/20 0.84
CXCR2 P25025 2/20 0.84
CYP3A4 P08684 2/20 0.84
RECQL P46063 1/20 0.84
KDM4E B2RXH2 1/20 0.84
HPGD P15428 1/20 0.84
MAPK1 P28482 1/20 0.84
PMP22 Q01453 1/20 0.84
SLC22A6 Q4U2R8 1/20 0.84
HSD17B10 Q99714 1/20 0.84
CXCL8 P10145 1/20 0.84
THPO P40225 1/20 0.84
HIF1A Q16665 1/20 0.84
HTT P42858 3/20 0.59

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
SCHEMBL4486185 1.00 PTGS1 (0.84) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL4485618 1.00 PTGS1 (0.84) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL28602451 0.92 PTGS1 (0.93) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Dexketoprofen SCHEMBL66987 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL16757741 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
R-Ketoprofen SCHEMBL29353694 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Dexketoprofen SCHEMBL29396875 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL8754790 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL8577572 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL3843886 0.91 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1

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 13 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-9315442-B2 Method for manufacturing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2016-04-19 US disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
WO-2013037984-A1 ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPEUTICS SL (ES) 2013-03-21 WO 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 (3 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 664/4885PTGS2 803/4885MAPT 1794/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 PTGS1 664/4885PTGS2 803/4885MAPT 1794/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A PTGS1 2304/4885PTGS2 2021/4885MAPT 1725/4885

“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.