SCHEMBL4856872

SCHEMBL4856872

COC(=O)C(C)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MT-CO2 P00403 1/20 0.43
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
MAOB P27338 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
APP P05067 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30192959 1.00 ATM (0.46) ATMTDP1ALDH1A1AKR1C3AKR1C2
SCHEMBL14797548 0.89 SMN1; SMN2 (0.50) ALDH1A1MT-CO2PTGS2PTGS1SMN1; SMN2
SCHEMBL6210738 0.87 NPSR1 (0.38) ATMTDP1ALDH1A1AKR1C3AKR1C2
SCHEMBL5676255 0.86 TDP1 (0.44) ATMTDP1ALDH1A1AKR1C3AKR1C2
SCHEMBL10776718 0.85 APP (0.56) ATMTDP1ALDH1A1AKR1C3AKR1C2
SCHEMBL25447155 0.84 ATM (0.42) ATMTDP1ALDH1A1AKR1C3AKR1C2
SCHEMBL5948033 0.84 AKR1C3 (0.59) ATMTDP1AKR1C3AKR1C2PTGS2
SCHEMBL13172342 0.84 ATM (0.50) ATMTDP1AKR1C3AKR1C2PTGS2
SCHEMBL30192831 0.84 AKR1C3 (0.59) ATMTDP1AKR1C3AKR1C2PTGS2
SCHEMBL5948037 0.84 AKR1C3 (0.59) ATMTDP1AKR1C3AKR1C2PTGS2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880015-B1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF FOND ST ITALIANO TECNOLOGIA (IT) 2017-09-27 EP disclosed
US-9630914-B2 Multitarget FAAH and COX inhibitors and therapeutical uses thereof FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-25 US disclosed
US-20150203447-A1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF Fondazione Istituti Italiano di Tecnologia (IT) 2015-07-23 US disclosed
EP-2880015-A1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF Fondazione Istituto Italiano Di Tecnologia (IT) 2015-06-10 EP disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
EP-2760835-A1 ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
US-4710581-A Nucleophilic substitution process ETHYL CORPORATION (US) 1987-12-01 US disclosed
US-4581463-A Nucleophilic substitution process combined with additional reaction steps ETHYL CORPORATION (US) 1986-04-08 US disclosed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP disclosed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP 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 (4 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-20150203447-A1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF FAAH, FAAH2, CNR2 ATM 4387/4885TDP1 2781/4885ALDH1A1 337/4885
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPA1 ATM 2756/4885TDP1 4706/4885ALDH1A1 2770/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 391/4885TDP1 1112/4885ALDH1A1 2391/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ATM 336/4885TDP1 1384/4885ALDH1A1 3257/4885

“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.