SCHEMBL5512872

SCHEMBL5512872

COC(=O)COc1ccc(SCc2cc(-c3ccccc3Cl)on2)c2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARD Q03181 8/20 0.42
PPARG P37231 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PPARA Q07869 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.39
KLF5 Q13887 1/20 0.38

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
SCHEMBL5505926 0.91 PPARD (0.52) HPGDMAPTNPY1RNPY2RSMN1; SMN2
SCHEMBL5512364 0.86 PPARD (0.49) HPGDMAPTPPARDPPARGMEN1
SCHEMBL5520230 0.80 PPARD (0.61) PPARDPPARGPPARA
SCHEMBL5512007 0.78 PPARD (0.61) PPARDPPARGPPARA
SCHEMBL5511928 0.77 GLA (0.46) MAPTPPARDPPARGPPARAALDH1A1
SCHEMBL5514519 0.76 PPARD (0.59) HPGDMAPTPPARDPPARGMEN1
SCHEMBL5520197 0.76 MAPT (0.43) HPGDMAPTPPARDPPARGMEN1
SCHEMBL5512155 0.75 PPARD (0.49) MAPTSMN1; SMN2PPARDPPARGMEN1
SCHEMBL5515949 0.71 PPARD (0.56) PPARDPPARGPPARA
SCHEMBL5505964 0.71 PPARD (0.70) PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG HPGD 1279/4885MAPT 4792/4885NPY1R 260/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG HPGD 1279/4885MAPT 4792/4885NPY1R 260/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG HPGD 1279/4885MAPT 4792/4885NPY1R 260/4885

“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.