SCHEMBL4480755

SCHEMBL4480755

CC(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1COc1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.43
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PPARA Q07869 4/20 0.36
ALDH1A1 P00352 2/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 2/20 0.36
TRPV3 Q8NET8 2/20 0.35
CACNA1G O43497 1/20 0.35
KCNH2 Q12809 1/20 0.35
RORC P51449 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
SCHEMBL4463162 0.83 PPARD (0.39) PPARDMEN1MAPTKMT2AKDM4E
SCHEMBL4473708 0.82 PPARD (0.46) PPARDMEN1MAPTKMT2AKDM4E
SCHEMBL4475296 0.82 PPARD (0.39) PPARDMEN1MAPTKMT2APPARA
SCHEMBL6220268 0.82 PPARD (0.39) PPARDMEN1MAPTKMT2APPARA
SCHEMBL4474860 0.80 MAPT (0.57) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL4463450 0.79 PPARD (0.44) PPARDMEN1MAPTKMT2AKDM4E
SCHEMBL5215581 0.78 PPARD (0.56) PPARDPPARAFFAR1PPARG
SCHEMBL5215587 0.78 PPARD (0.56) PPARDPPARAFFAR1PPARG
SCHEMBL5216541 0.78 PPARD (0.56) PPARDPPARAFFAR1PPARG
SCHEMBL5217968 0.78 PPARD (0.67) PPARDPPARA

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
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-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE 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-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 (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 PPARD 2/4885MEN1 4670/4885MAPT 2395/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885MEN1 4766/4885MAPT 4851/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARD 3/4885MEN1 4660/4885MAPT 3515/4885

“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.