SCHEMBL5860037

SCHEMBL5860037

CCOC(=O)CC1(C)CCc2cc(S(=O)(=O)Cl)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
PKM P14618 2/20 0.39
DAGLA Q9Y4D2 8/20 0.38
ABHD6 Q9BV23 2/20 0.38
AKT1 P31749 2/20 0.37
CYP2C9 P11712 5/20 0.37
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
KCNH2 Q12809 2/20 0.37
EPHX2 P34913 2/20 0.37
PKLR P30613 1/20 0.35
NR1I2 O75469 1/20 0.35
DAGLB Q8NCG7 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5858834 0.83 PPARG (0.40) PPARGPPARAAKT1NR1I2
SCHEMBL5859204 0.82 PPARG (0.45) PPARGPPARDPPARAAKT1CYP2C9
SCHEMBL5859975 0.79 PPARG (0.46) PPARGPPARDPPARAKCNH2GAA
SCHEMBL639690 0.74 PKM (0.58) PKMDAGLAABHD6CYP2C9CYP2D6
SCHEMBL30511906 0.74 PKM (0.58) PKMDAGLAABHD6CYP2C9CYP2D6
SCHEMBL5859969 0.72 L3MBTL1 (0.44) PPARGPPARDPPARAAKT1KCNH2
SCHEMBL10636272 0.72 AKT1 (0.58) PPARGPPARDPPARAAKT1NR1I2
SCHEMBL6952607 0.71 AKT1 (0.57) PPARGPPARDPPARAAKT1KCNH2
SCHEMBL7795202 0.71 MEN1 (0.37) CYP3A4NR1I2CYP1A2
SCHEMBL24157975 0.69 KMT2A (0.48) GAAALDH1A1KDM4EHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885

“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.