SCHEMBL3589424

SCHEMBL3589424

COC(=O)Cc1ccc(OCC(C)Oc2ccc(-c3cccs3)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PSMB5 P28074 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC1 Q13547 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
FFAR1 O14842 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 0.87 KDM4E (0.46) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL3581379 0.77 FFAR1 (0.42) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL13637287 0.74 ALDH1A1 (0.39) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL13637284 0.74 FFAR1 (0.39) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL3586378 0.70 PPARG (0.40) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL3586512 0.69 KDM4E (0.52) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL13442138 0.67 PPARD (0.36) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL13442153 0.66 KDM4E (0.36) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL8402101 0.63 ALDH1A1 (0.51) KDM4EALDH1A1NPC1RAB9ATDP1
SCHEMBL8405103 0.63 ALDH1A1 (0.51) KDM4EALDH1A1NPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3867/4885POLB 2595/4885MAPT 3021/4885
US-20060058301-A1 Modulators of PPAR and methods of their preparation PPARG, PPARD, PPARA KDM4E 3867/4885POLB 2595/4885MAPT 3021/4885

“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.