SCHEMBL8476208

SCHEMBL8476208

COC(=O)C(C)c1ccc(N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.47
PTGS1 P23219 5/20 0.47
PTGS2 P35354 4/20 0.47
MAOB P27338 4/20 0.45
APP P05067 2/20 0.43
CYP2C19 P33261 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PGR P06401 1/20 0.42
PDE4A P27815 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL30192791 1.00 MT-CO2 (0.47) MT-CO2PTGS1PTGS2MAOBAPP
SCHEMBL24875457 1.00 MT-CO2 (0.47) MT-CO2PTGS1PTGS2MAOBAPP
SCHEMBL14798202 0.87 MT-CO2 (0.47) MT-CO2PTGS1PTGS2MAOBAPP
SCHEMBL31560842 0.85 PTGS1 (0.50) MT-CO2PTGS1PTGS2MAOBAPP
SCHEMBL30192767 0.84 PTGS2 (0.44) PTGS1PTGS2MAOBAPPCYP2C19
SCHEMBL5948065 0.84 PTGS2 (0.44) PTGS1PTGS2MAOBAPPCYP2C19
SCHEMBL7708885 0.84 HDAC1 (0.42) PTGS2APPCYP2C19HDAC1HDAC6
Acetic Acid SCHEMBL21808210 0.83 PTGS1 (0.47) MT-CO2PTGS1PTGS2MAOBAPP
SCHEMBL10967797 0.82 MT-CO2 (0.55) MT-CO2PTGS1PTGS2MAOBAPP
SCHEMBL19392984 0.82 MT-CO2 (0.55) MT-CO2PTGS1PTGS2MAOBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
EP-2880015-B1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF FOND ST ITALIANO TECNOLOGIA (IT) 2017-09-27 EP disclosed
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-9630914-B2 Multitarget FAAH and COX inhibitors and therapeutical uses thereof FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-25 US 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-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 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
US-20150203447-A1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF Fondazione Istituti Italiano di Tecnologia (IT) 2015-07-23 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
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-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
EP-0100120-B1 IMPROVEMENT IN THE PROCESS FOR PREPARING BIARYL COMPOUNDS VIA COUPLING OF AN ARYLAMINE WITH AN ARENE Nobel Chemicals AB (SE) 1988-02-03 EP 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
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 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 (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-20150203447-A1 MULTITARGET FAAH AND COX INHIBITORS AND THERAPEUTICAL USES THEREOF FAAH, FAAH2, CNR2 MT-CO2 1644/4885PTGS1 7/4885PTGS2 11/4885
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPA1 MT-CO2 2505/4885PTGS1 710/4885PTGS2 772/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 MT-CO2 4515/4885PTGS1 1476/4885PTGS2 1336/4885

“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.