SCHEMBL3586378

SCHEMBL3586378

CCCc1cc(CC(=O)OCC)ccc1OCCOc1ccc(-c2cccs2)cc1-n1nc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
KDM4E B2RXH2 5/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TNFRSF1A P19438 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
PDE5A O76074 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TBXAS1 P24557 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL13407854 0.78 KDM4E (0.46) PPARGKDM4EPOLBNPC1RAB9A
SCHEMBL3581379 0.75 FFAR1 (0.42) PPARGKDM4EPOLBNPC1RAB9A
SCHEMBL3590109 0.74 KDM4E (0.44) PPARGKDM4EPOLBNPC1RAB9A
SCHEMBL3583609 0.72 KDM4E (0.44) PPARGKDM4EPOLBALDH1A1HPGD
SCHEMBL13637288 0.72 KDM4E (0.44) KDM4EPOLBRAB9AALDH1A1HPGD
SCHEMBL3589424 0.70 KDM4E (0.42) PPARGKDM4EPOLBNPC1RAB9A
SCHEMBL13442138 0.70 PPARD (0.36) PPARGKDM4EPOLBNPC1RAB9A
SCHEMBL27484846 0.69 HDAC1 (0.50) PPARGKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13637284 0.68 FFAR1 (0.39) PPARGKDM4EPOLBNPC1RAB9A
SCHEMBL13442153 0.68 KDM4E (0.36) PPARGKDM4EPOLBNPC1RAB9A

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
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-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 1/4885KDM4E 3867/4885POLB 2595/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA PPARG 1/4885KDM4E 3867/4885POLB 2595/4885

“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.