SCHEMBL5228001

SCHEMBL5228001

Cc1oc(-c2cccs2)nc1CCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 9/20 0.52
HPGD P15428 5/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PPARA Q07869 5/20 0.50
MAPT P10636 5/20 0.50
PPARG P37231 4/20 0.50
HSD17B10 Q99714 4/20 0.50
PPARD Q03181 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL5207132 0.89 KDM4E (0.45) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL13633782 0.87 HSD17B10 (0.53) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL7724076 0.85 KDM4E (0.51) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL13633793 0.83 KDM4E (0.54) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL1051606 0.82 KDM4E (0.53) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL12522017 0.82 KDM4E (0.53) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL4028821 0.82 KDM4E (0.53) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL4744872 0.82 PPARA (0.64) ALDH1A1KDM4EHPGDKMT2APPARA
SCHEMBL12447266 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMEN1POLB
SCHEMBL12442798 0.80 PPARA (0.64) ALDH1A1KDM4EHPGDPPARAMAPT

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-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-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
US-7351728-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-7351728-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-20070254882-A1 Sulfamide Derivatives and Pharmaceutical Composition for Upregulation of Lipid Metabolism Comprising Same CRYSTAL GENOMICS, INC. (KR) 2007-11-01 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-1313715-B1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-08-01 EP disclosed
EP-1778654-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME Crystalgenomics, Inc. (KR) 2007-05-02 EP disclosed
WO-2006006832-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME CRYSTALGENOMICS, INC. (KR) 2006-01-19 WO disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 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 (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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD ALDH1A1 1363/4885KDM4E 4175/4885HPGD 283/4885
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARG, PPARD ALDH1A1 936/4885KDM4E 2738/4885HPGD 1113/4885
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 ALDH1A1 1297/4885KDM4E 4016/4885HPGD 132/4885
US-20070254882-A1 Sulfamide Derivatives and Pharmaceutical Composition for Upregulation of Lipid Metabolism Comprising Same SULT2A1, SPTLC2, SGMS2 ALDH1A1 1086/4885KDM4E 1729/4885HPGD 1965/4885

“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.