SCHEMBL17540552

SCHEMBL17540552

NS(=O)(=O)OC(COc1ccc(CC2SC(=O)CC2=O)cc1)c1cccc(C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
FFAR1 O14842 4/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14213665 0.88 FFAR1 (0.37) PPARGFFAR1
SCHEMBL14213672 0.87 PPARG (0.38) PPARGFFAR1
SCHEMBL14299379 0.87 PPARG (0.50) PPARGFFAR1
SCHEMBL14299380 0.85 PPARG (0.39) PPARGFFAR1
SCHEMBL17540553 0.83 PPARG (0.39) PPARGFFAR1NPC1RAB9ATDP1
SCHEMBL14213670 0.82 FFAR1 (0.34) PPARGFFAR1TDP1
SCHEMBL14213654 0.81 FFAR1 (0.43) PPARGFFAR1
SCHEMBL17540550 0.81 PPARG (0.37) PPARGFFAR1NPC1RAB9ATDP1
SCHEMBL14213690 0.78 FFAR1 (0.33) PPARGFFAR1TDP1
SCHEMBL14299383 0.75 PPARG (0.55) PPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 US 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 (1 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-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 45/4885NPC1 284/4885

“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.