SCHEMBL4896090

SCHEMBL4896090

COc1oc(-c2ccccc2)nc1CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
TSHR P16473 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
PPARD Q03181 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
SCHEMBL4891981 0.98 MAPT (0.43) TDP1KDM4EMEN1ALDH1A1HPGD
SCHEMBL504044 0.87 PPARG (0.54) KDM4ETP53MAPTLMNATHRB
SCHEMBL4885359 0.85 PPARA (0.52) KDM4ETP53MAPTLMNATHRB
SCHEMBL5124569 0.81 LMNA (0.51) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL4894698 0.81 PPARA (0.54) KDM4EPPARAPPARG
SCHEMBL4897132 0.80 MAPT (0.46) KDM4ETP53MAPTLMNATHRB
SCHEMBL4889024 0.80 PPARA (0.52) MAPTLMNATHRBPPARAPPARG
SCHEMBL6807064 0.79 PPARA (0.45) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL4893334 0.79 TP53 (0.52) MEN1KMT2ATP53MAPTLMNA
Toluene SCHEMBL28752852 0.77 PPARA (0.43) MAPTLMNATHRBPPARAPPARG

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 WO disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD TDP1 3300/4885KDM4E 4175/4885MEN1 4833/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD TDP1 3300/4885KDM4E 4175/4885MEN1 4833/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA TDP1 3307/4885KDM4E 4016/4885MEN1 4841/4885

“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.