SCHEMBL4119775

SCHEMBL4119775

Cc1ccc(-c2nsc(CO)n2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.48
PPARA Q07869 11/20 0.48
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PPARG P37231 2/20 0.39
TP53 P04637 2/20 0.39
SNCA P37840 1/20 0.38
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4109081 0.86 PPARD (0.51) PPARDPPARAMAPTPPARGTP53
SCHEMBL4101978 0.84 PPARD (0.46) PPARDPPARAMAPTRXFP1PPARG
SCHEMBL4102182 0.81 RXFP1 (0.42) PPARDPPARAMAPTRXFP1TP53
SCHEMBL13908388 0.78 ADORA3 (0.42) PPARDPPARAMAPTSNCANPC1
SCHEMBL4119006 0.77 ABL1 (0.49) PPARDPPARAMAPTPPARGSNCA
SCHEMBL1426131 0.75 MEN1 (0.50) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL1425677 0.74 ADORA3 (0.54) MAPTRXFP1TP53NPC1RAB9A
SCHEMBL4114597 0.74 PPARD (0.47) PPARDPPARAMAPTPPARGTP53
SCHEMBL27651786 0.73 MCL1 (0.47) PPARDPPARAMAPTRXFP1TP53
SCHEMBL4114372 0.72 KIF11 (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 11 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-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
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
CN-1897939-A Phenoxyacetic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) dual agonists JANSSEN PHARMACEUTICA NV (BE) 2007-01-17 CN 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 1/4885MAPT 4195/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885MAPT 4195/4885

“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.