SCHEMBL3586712

SCHEMBL3586712

O=C(O)CCc1ccc(OCCCOc2ccc(Cl)cc2-n2nc3c(n2)CCCC3)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
FFAR1 O14842 4/20 0.46
PPARA Q07869 1/20 0.46
RAB9A P51151 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR4 Q5NUL3 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP1 Q9C000 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3590637 0.90 PPARG (0.48) PPARGFFAR1PPARAHPGDMAPT
SCHEMBL13407835 0.88 HPGD (0.42) PPARGRAB9AHPGDMAPTNPSR1
SCHEMBL13407833 0.87 PPARG (0.49) PPARGFFAR1PPARARAB9AHPGD
SCHEMBL13407870 0.84 TDP1 (0.47) PPARGFFAR1PPARARAB9AHPGD
SCHEMBL3593830 0.82 LTB4R (0.43) PPARGFFAR1PPARAPTGDR2MEN1
SCHEMBL13407834 0.79 PPARG (0.41) PPARGFFAR1PPARARAB9AHPGD
SCHEMBL3583161 0.77 PPARD (0.49) PPARGPPARARAB9AHPGDALDH1A1
SCHEMBL3577648 0.76 ALDH1A1 (0.42) PPARGRAB9APTGDR2HPGDMAPT
SCHEMBL13407868 0.76 HPGD (0.45) PPARGRAB9AHPGDMAPTNPSR1
SCHEMBL13407869 0.74 PPARG (0.42) PPARGFFAR1PPARAHPGDMAPT

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 13 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
EP-1776111-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-04-25 EP claimed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US claimed
WO-2006020916-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-02-23 WO 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
EP-1776111-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-04-25 EP disclosed
US-20060058301-A1 Modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-03-16 US disclosed
WO-2006020916-A2 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-02-23 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 (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 PPARG 1/4885FFAR1 8/4885PPARA 3/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA PPARG 1/4885FFAR1 8/4885PPARA 3/4885

“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.