SCHEMBL4101439

SCHEMBL4101439

CCOC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TP53 P04637 4/20 0.44
THRB P10828 3/20 0.44
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 8/20 0.43
MAPT P10636 8/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4114734 0.88 MAPT (0.55) PPARDPPARATP53DHODHALDH1A1
SCHEMBL4114732 0.86 ALDH1A1 (0.51) TP53ALDH1A1MAPTHPGDALOX15
SCHEMBL14527733 0.85 ALDH1A1 (0.45) TP53ALDH1A1MAPTHPGDALOX15
SCHEMBL18614346 0.84 MAPT (0.54) TP53THRBDHODHALDH1A1MAPT
SCHEMBL1426050 0.84 MAPT (0.52) TP53ALDH1A1MAPTHPGDALOX15
SCHEMBL16370488 0.83 ALDH1A1 (0.59) TP53ALDH1A1MAPTHPGDHSD17B10
SCHEMBL1425605 0.83 MAPT (0.61) TP53ALDH1A1MAPTHPGDALOX15
SCHEMBL1425588 0.82 PPARA (0.49) PPARDPPARATP53ALDH1A1MAPT
SCHEMBL12811588 0.81 NPC1 (0.59) TP53ALDH1A1MAPTHPGDALOX15
SCHEMBL4122529 0.80 PPARD (0.43) PPARDPPARATP53THRBDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
EP-1684752-B1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-16 EP disclosed
EP-1684752-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-02 EP disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
WO-2005041959-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-12 WO disclosed
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885TP53 1906/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885TP53 1906/4885

“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.