SCHEMBL14733585

SCHEMBL14733585

O=C(O)CCCC(=O)O[C@H](COc1ccc(CC2SC(=O)CC2=O)cc1)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
PPARG P37231 3/20 0.36
ADRB3 P13945 7/20 0.36
ADRB1 P08588 4/20 0.36
TBXA2R P21731 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.34
PLA2G4A P47712 1/20 0.33

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
SCHEMBL14733584 1.00 FFAR1 (0.40) FFAR1PPARGADRB3ADRB1TBXA2R
SCHEMBL14213635 0.95 FFAR1 (0.39) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213632 0.95 FFAR1 (0.39) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213669 0.90 FFAR1 (0.41) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14733581 0.89 PPARG (0.49) FFAR1PPARGPTGFRCYP2C9
SCHEMBL14733582 0.89 PPARG (0.49) FFAR1PPARGPTGFRCYP2C9
SCHEMBL14733583 0.89 PPARG (0.49) FFAR1PPARGPTGFRCYP2C9
SCHEMBL14213630 0.87 PPARG (0.41) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213708 0.87 PPARG (0.41) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213770 0.84 FFAR1 (0.40) FFAR1PPARGPTGFRCYP2D6CYP2C9

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-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-02-28 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-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PPARD, PPARG, PPARA FFAR1 75/4885PPARG 2/4885ADRB3 158/4885

“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.