SCHEMBL1553524

SCHEMBL1553524

CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
S1PR1 P21453 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
PPARG P37231 6/20 0.42
FFAR1 O14842 5/20 0.42
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39

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
SCHEMBL4477482 0.92 MAPT (0.48) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3540426 0.91 MAPT (0.43) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL1553173 0.87 MAPT (0.45) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4464293 0.87 MAPT (0.50) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3536310 0.85 PPARD (0.53) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4809304 0.85 PPARD (0.43) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4808139 0.85 MAPT (0.47) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL18003063 0.84 MAPT (0.48) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3542677 0.84 CTSS (0.41) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4469584 0.83 MAPT (0.44) MAPTKDM4EMEN1HSP90AA1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794159-B1 7-AZAINDOLES AND THEIR USE AS PPAR AGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-08-01 EP disclosed
EP-1794159-B1 7-AZAINDOLES AND THEIR USE AS PPAR AGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-08-01 EP disclosed
EP-1735303-B1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMA INC (US) 2011-04-27 EP disclosed
EP-1735303-B1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMA INC (US) 2011-04-27 EP disclosed
US-7709509-B2 Oxadiazolones and derivatives thereof as peroxisome proliferator-activated receptor (PPAR) delta agonists SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-7709509-B2 Oxadiazolones and derivatives thereof as peroxisome proliferator-activated receptor (PPAR) delta agonists SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-7709509-B2 Oxadiazolones and derivatives thereof as peroxisome proliferator-activated receptor (PPAR) delta agonists SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
CN-100582104-C Oxadiazolone derivatives as PPAR delta agonists SANOFI AVENTIS DEUTSCHLAND 2010-01-20 CN disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
WO-2006029699-A1 7-AZAINDOLES AND THEIR USE AS PPAR AGONISTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-23 WO disclosed
WO-2005097786-A1 OXADIAZOLONE DERIVATIVES AS PPAR DELTA AGONISTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-20 WO disclosed
WO-2005097762-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
EP-1586573-A1 Oxadiazolones, processes for their preparation and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2005-10-19 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG MAPT 2395/4885KDM4E 2086/4885MEN1 4670/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD MAPT 4861/4885KDM4E 1910/4885MEN1 4409/4885

“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.