SCHEMBL4464968

SCHEMBL4464968

CC(O)c1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
PTPN1 P18031 2/20 0.40
PPARD Q03181 3/20 0.39
PPARG P37231 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4464845 0.83 PPARD (0.48) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL4475310 0.82 IKBKB (0.44) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL5215134 0.80 HEXA (0.43) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL4468828 0.75 PPARD (0.46) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL6219874 0.74 PPARD (0.43) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL6224559 0.74 IKBKB (0.43) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL4463506 0.73 IKBKB (0.41) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL18003565 0.72 IKBKB (0.43) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL4468865 0.71 PPARD (0.48) IKBKBPTPN1PPARDPPARGLMNA
SCHEMBL13899141 0.71 KDM4E (0.51) NOTUMKDM4ECYP1A2CYP2C19ALDH1A1

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 15 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
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
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
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-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
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 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
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (3 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 IKBKB 1096/4885PTPN1 2276/4885PPARD 2/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD IKBKB 4269/4885PTPN1 1071/4885PPARD 3/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD IKBKB 857/4885PTPN1 2288/4885PPARD 3/4885

“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.