SCHEMBL3578660

SCHEMBL3578660

O=C(O)Cc1ccc(OCCCOc2ccc(F)cc2-n2nc3c(n2)CCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PPARG P37231 2/20 0.42
LTB4R Q15722 4/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PPARD Q03181 4/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
FFAR4 Q5NUL3 4/20 0.39
TBXAS1 P24557 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PLA2G4B P0C869 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
SCHEMBL3593830 0.88 LTB4R (0.43) PPARAPPARGLTB4RPTGDR2PPARD
SCHEMBL3585113 0.87 LTB4R (0.44) PPARAPPARGLTB4RPPARDLTB4R2
SCHEMBL3586956 0.87 KDM4E (0.44) PPARAPPARGLTB4RPPARDNR1H2
SCHEMBL13441808 0.78 PPARD (0.41) PPARAPPARGPTGDR2PPARDTBXAS1
SCHEMBL3577648 0.77 ALDH1A1 (0.42) PPARGPTGDR2
SCHEMBL13637193 0.77 PPARG (0.51) PPARAPPARGLTB4RPPARDNR1H2
SCHEMBL3583333 0.76 TBXAS1 (0.43) PPARAPPARGLTB4RLTB4R2TBXAS1
SCHEMBL3589584 0.75 PPARG (0.47) PPARAPPARGLTB4RPTGDR2PPARD
SCHEMBL13407823 0.74 NPC1 (0.60) PPARAPPARGLTB4RPPARDLTB4R2
SCHEMBL3576162 0.74 LTB4R (0.48) PPARAPPARGLTB4RPTGDR2PPARD

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 PPARA 3/4885PPARG 1/4885LTB4R 2082/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885LTB4R 2082/4885

“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.