SCHEMBL4114597

SCHEMBL4114597

CC(C)(C)c1ccc(-c2nsc(CO)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.47
PPARA Q07869 6/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
TRPV1 Q8NER1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 2/20 0.39
XDH P47989 1/20 0.38
TP53 P04637 3/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
KIF11 P52732 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.37

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
SCHEMBL4113975 0.84 PPARD (0.45) PPARDPPARARAB9ANPC1KDM4E
SCHEMBL4109809 0.84 PPARD (0.48) PPARDPPARATRPV1PPARGKIF11
SCHEMBL4102182 0.81 RXFP1 (0.42) PPARDPPARARAB9ANPC1KDM4E
SCHEMBL13908388 0.78 ADORA3 (0.42) PPARDPPARARAB9ANPC1SMN1; SMN2
SCHEMBL1426131 0.78 MEN1 (0.50) PPARDPPARARAB9ANPC1TRPV1
SCHEMBL1425677 0.77 ADORA3 (0.54) RAB9ANPC1KDM4ETP53SMN1; SMN2
SCHEMBL9852337 0.75 ADORA3 (0.59) RAB9ANPC1KDM4EGAAXDH
SCHEMBL14755751 0.75 RAB9A (0.49) PPARDPPARARAB9ANPC1KDM4E
SCHEMBL4119775 0.74 PPARD (0.48) PPARDPPARARAB9ANPC1PPARG
SCHEMBL1425695 0.74 PPARA (0.52) PPARDPPARAPPARG

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 1/4885RAB9A 2791/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885RAB9A 2791/4885

“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.