SCHEMBL3924323

SCHEMBL3924323

O=C(Cl)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SLC13A5 Q86YT5 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
AR P10275 1/20 0.44
MME P08473 1/20 0.42
S1PR1 P21453 1/20 0.41
EPHX2 P34913 1/20 0.40
SCN9A Q15858 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
KMO O15229 2/20 0.40
BACE1 P56817 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CNR2 P34972 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL31757824 1.00 SLC6A7 (0.50) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL29869199 0.84 EPHX2 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL566127 0.84 EPHX2 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL28424524 0.83 ADH5 (0.48)
SCHEMBL3135733 0.83 MAOB (0.52) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL7466543 0.83 KIF11 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL6542513 0.83 SLC6A7 (0.50) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL7067814 0.82 SCN9A (0.50) PPARGPPARAAREPHX2SCN9A
SCHEMBL30876050 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL22304414 0.81 AR (0.58) SLC6A7FFAR4SLC13A5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD SLC6A7 3324/4885FFAR4 11/4885SLC13A5 2180/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD SLC6A7 3123/4885FFAR4 12/4885SLC13A5 2170/4885

“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.