SCHEMBL1815302

SCHEMBL1815302

CCOC(=O)COc1ccc(S)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.48
ADRB3 P13945 2/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL29369910 0.85 TDP1 (0.74) ALDH1A1L3MBTL1TDP1KDM4EGAA
SCHEMBL377848 0.85 ESR1 (0.56) ALDH1A1KDM4EMEN1HPGDCASP1
SCHEMBL3273629 0.85 LMNA (0.64) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL1694924 0.85 TDP1 (0.74) ALDH1A1L3MBTL1TDP1KDM4EGAA
SCHEMBL3684907 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1TDP1KDM4EMEN1
SCHEMBL4775229 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1TDP1KDM4EMEN1
SCHEMBL3531540 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1KDM4EMEN1
SCHEMBL4303747 0.82 ALDH1A1 (0.65) ALDH1A1L3MBTL1TDP1KDM4EMEN1
SCHEMBL12082772 0.81 TDP1 (0.50) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL4773036 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1TDP1KDM4EMEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243766-B1 4-((phenoxyalkyl)thio)-phenoxyacetic acids for use in treating PPAR-delta mediated conditions JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 US disclosed
EP-1670744-B9 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACI DS AND ANALOGS JANSSEN PHARMACEUTICA NV (BE) 2012-09-05 EP disclosed
US-8258177-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-04 US disclosed
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2011-12-01 US disclosed
EP-1899302-B1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS LLC (US) 2011-10-19 EP disclosed
US-8008513-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-30 US disclosed
US-20110183982-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-07-28 US disclosed
US-7943669-B2 Phenoxy acetic acids as PPAR delta activators HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 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 (6 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-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ALDH1A1 1558/4885L3MBTL1 3157/4885TDP1 3670/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA ALDH1A1 862/4885L3MBTL1 4857/4885TDP1 3789/4885
US-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD ALDH1A1 926/4885L3MBTL1 4881/4885TDP1 4097/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ALDH1A1 1558/4885L3MBTL1 3157/4885TDP1 3670/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG ALDH1A1 1050/4885L3MBTL1 4653/4885TDP1 3887/4885
US-20110183982-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS PPARA, PPARG, PPARD ALDH1A1 159/4885L3MBTL1 4834/4885TDP1 4241/4885

“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.