SCHEMBL3584162

SCHEMBL3584162

O=C(O)Cn1ccc2cc(OCCOc3ccc(Cl)cc3-n3nc4ccccc4n3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.52
PPARA Q07869 14/20 0.52
PPARG P37231 13/20 0.52
MCL1 Q07820 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3579373 0.97 PPARG (0.55) PPARDPPARAPPARGMCL1ITGB3
SCHEMBL13626055 0.89 PPARG (0.52) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL3581482 0.87 MCL1 (0.57) PPARDPPARAPPARGMCL1ITGB3
SCHEMBL13626049 0.86 PPARG (0.55) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL3590129 0.86 PPARD (0.44) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL13625916 0.85 KMO (0.47) PPARGKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3584874 0.82 KMO (0.46) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL3587335 0.79 KDM4E (0.46) PPARDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3593824 0.78 PPARG (0.51) PPARDPPARAPPARGMCL1KDM4E
SCHEMBL3576162 0.76 LTB4R (0.48) PPARDPPARAPPARGKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US claimed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US claimed
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US 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 (2 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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 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.