SCHEMBL4487227

SCHEMBL4487227

CCC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.72
CXCR1 P25024 5/20 0.68
CXCR2 P25025 5/20 0.68
PTGS1 P23219 3/20 0.68
PTGS2 P35354 3/20 0.68
LMNA P02545 2/20 0.68
CYP2C9 P11712 2/20 0.68
AKR1C3 P42330 2/20 0.68
ALB P02768 1/20 0.68
ESR1 P03372 1/20 0.68
ALOX5 P09917 1/20 0.68
RARB P10826 1/20 0.68
ADRB3 P13945 1/20 0.68
NFKB1 P19838 1/20 0.68
HTR2A P28223 1/20 0.68
NR1I3 Q14994 1/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
CXCL8 P10145 1/20 0.68
TSHR P16473 1/20 0.68
AKR1C2 P52895 1/20 0.68

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
SCHEMBL4481658 1.00 FAAH (0.72) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL13179861 1.00 FAAH (0.72) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL6421549 0.83 FAAH (0.64) FAAHCXCR1CXCR2PTGS1PTGS2
Ibuprofen SCHEMBL28746424 0.82 PTGS1 (0.86) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL4481095 0.82 CXCR1 (0.69) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL4483053 0.82 FAAH (0.68) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL4475424 0.82 CXCR1 (0.69) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL4483057 0.82 FAAH (0.68) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL4470450 0.82 CXCR1 (0.69) FAAHCXCR1CXCR2PTGS1PTGS2
SCHEMBL9111108 0.81 PTGS2 (0.68) FAAHCXCR1CXCR2PTGS1PTGS2

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 14 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 disclosed
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES CELLIX BIO PRIVATE LTD (IN) 2015-10-15 US disclosed
EP-1978947-B1 NITROOXYDERIVATIVES FOR USE IN THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX SA (FR) 2014-08-13 EP disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
WO-2011139911-A2 LIPID FORMULATED SINGLE STRANDED RNA ISIS PHARMACEUTICALS, INC. (US) 2011-11-10 WO disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 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
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 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 (6 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-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES KYNU, TKT, SLC5A1 FAAH 1487/4885CXCR1 3169/4885CXCR2 3628/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FAAH 1153/4885CXCR1 1243/4885CXCR2 883/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES FAAH 2538/4885CXCR1 634/4885CXCR2 225/4885
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases NR1H4, MMP8, NR1I2 FAAH 1290/4885CXCR1 392/4885CXCR2 83/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 FAAH 1290/4885CXCR1 392/4885CXCR2 83/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FAAH 1153/4885CXCR1 1243/4885CXCR2 883/4885

“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.