SCHEMBL3900449

SCHEMBL3900449

NC(=O)CCOc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.62
PPARA Q07869 2/20 0.62
PPARG P37231 11/20 0.61
MAPT P10636 2/20 0.59
HRH3 Q9Y5N1 1/20 0.59
CYP3A4 P08684 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RXRA P19793 1/20 0.56
MPC2 O95563 2/20 0.55
CYP2C8 P10632 2/20 0.55
CYP2C9 P11712 2/20 0.55

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
SCHEMBL4863080 0.86 FFAR1 (0.67) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570670 0.86 FFAR1 (0.71) FFAR1PPARAPPARGMAPTHRH3
Hydrochloric Acid SCHEMBL5884048 0.85 FFAR1 (0.66) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570560 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570853 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570653 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570574 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL8957444 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570697 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3
SCHEMBL9570566 0.85 FFAR1 (0.69) FFAR1PPARAPPARGMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646383-A4 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
EP-1646383-A4 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 US disclosed
EP-1646383-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR Bethesda Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
EP-1646383-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR Bethesda Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
WO-2005009437-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
WO-2005009437-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
WO-2002076177-A2 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2002-10-03 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 (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-20070099969-A1 Design and synthesis of optimized ligands for ppar PPARD, PPARA, PPARG FFAR1 7/4885PPARA 2/4885PPARG 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.