SCHEMBL4484960

SCHEMBL4484960

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCCO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.58
PPARG P37231 9/20 0.51
PTPN1 P18031 3/20 0.47
PPARD Q03181 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CTSS P25774 1/20 0.42
IKBKB O14920 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL4890697 0.92 PPARA (0.54) PPARAPPARGPTPN1KDM4EL3MBTL1
SCHEMBL9831925 0.86 PTPN1 (0.51) PPARAPPARGPTPN1PPARDKDM4E
SCHEMBL3583269 0.82 PPARA (0.52) PPARAPPARGPPARDKDM4ENPC1
SCHEMBL5022312 0.81 KDM4E (0.61) PPARAPPARGPPARDKDM4ENPC1
SCHEMBL2517496 0.81 PPARA (0.49) PPARAPPARGPTPN1PPARDKDM4E
SCHEMBL20861471 0.81 PPARA (0.53) PPARAPPARGPTPN1PPARDKDM4E
SCHEMBL6219398 0.81 PPARD (0.54) PPARAPPARGPTPN1PPARDKDM4E
SCHEMBL4468549 0.80 PPARA (0.48) PPARAPPARGPTPN1PPARDKDM4E
SCHEMBL5855420 0.80 PPARG (0.56) PPARAPPARGPPARDKDM4ETP53
SCHEMBL1049514 0.80 PPARA (0.48) PPARAPPARGPTPN1PPARDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (4 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 PPARA 1/4885PPARG 3/4885PTPN1 2276/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PTPN1 1071/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PTPN1 2288/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PTPN1 1613/4885

“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.