SCHEMBL5858834

SCHEMBL5858834

CCOC(=O)CC1(C)CCc2cc(S(=O)(=O)Cl)cc(C)c2O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.39
AKT1 P31749 4/20 0.39
ALOX5 P09917 7/20 0.38
NR1I2 O75469 3/20 0.38
LMNA P02545 1/20 0.37
PDPK1 O15530 2/20 0.36
PHLPP1 O60346 2/20 0.36
ILK Q13418 2/20 0.36
PTGES O14684 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
SCHEMBL5860037 0.83 PPARG (0.45) PPARGPPARAAKT1NR1I2
SCHEMBL5859969 0.78 L3MBTL1 (0.44) PPARGPPARAAKT1ALOX5NR1I2
SCHEMBL7795202 0.74 MEN1 (0.37) ALOX5NR1I2
SCHEMBL5859190 0.72 AKT1 (0.42) PPARGPPARAAKT1ALOX5NR1I2
SCHEMBL5859975 0.70 PPARG (0.46) PPARGPPARALMNA
SCHEMBL24157975 0.70 KMT2A (0.48)
SCHEMBL5859204 0.69 PPARG (0.45) PPARGPPARAAKT1
SCHEMBL9816262 0.67 PTGS1 (0.54) ALOX5NR1I2LMNA
SCHEMBL6499643 0.65 GAA (0.50)
SCHEMBL7330589 0.64 MEN1 (0.58) ALOX5

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 3/4885PPARA 1/4885AKT1 735/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARA 1/4885AKT1 735/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG PPARG 3/4885PPARA 1/4885AKT1 735/4885

“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.