SCHEMBL4471196

SCHEMBL4471196

CC(=O)[C@H](C)c1ccc(CC(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.79
CXCR2 P25025 5/20 0.79
PTGS1 P23219 3/20 0.79
PTGS2 P35354 3/20 0.79
LMNA P02545 2/20 0.79
CYP2C9 P11712 2/20 0.79
AKR1C3 P42330 2/20 0.79
ALB P02768 1/20 0.79
ESR1 P03372 1/20 0.79
ALOX5 P09917 1/20 0.79
RARB P10826 1/20 0.79
ADRB3 P13945 1/20 0.79
NFKB1 P19838 1/20 0.79
HTR2A P28223 1/20 0.79
NR1I3 Q14994 1/20 0.79
SLC22A6 Q4U2R8 1/20 0.79
CXCL8 P10145 1/20 0.79
TSHR P16473 1/20 0.79
AKR1C2 P52895 1/20 0.79
BLM P54132 1/20 0.79

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
SCHEMBL4408253 1.00 CXCR1 (0.79) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL4483214 1.00 CXCR1 (0.79) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL2889299 0.89 PTGS1 (0.93) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19732906 0.89 PTGS1 (0.93) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL3001 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19439560 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Dexibuprofen SCHEMBL30091137 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19439559 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
(R)-Ibuprophen SCHEMBL29057 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL8754799 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA

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-2012121701-A1 PROCESS FOR THE RESOLUTION OF RACEMIC (±)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ[B,F]AZEPINE-5-CARBOXAMIDE WATSON LABORATORIES, INC. (US) 2012-09-13 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 CXCR1 392/4885CXCR2 83/4885PTGS1 664/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 CXCR1 392/4885CXCR2 83/4885PTGS1 664/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A CXCR1 1588/4885CXCR2 3220/4885PTGS1 2304/4885

“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.