Sugi Predict

Sugi Predict / Compounds / SCHEMBL4601452

SCHEMBL4601452

SCHEMBL4601452

COCOc1ccc(CCS(=O)(=O)NCCOC(C)C)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.65
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL4601654 0.95 PPARG (0.70) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4600648 0.94 PPARG (0.74) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4601497 0.89 PPARG (0.79) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4601753 0.87 PPARG (0.76) PPARG
SCHEMBL4601445 0.87 PPARG (0.56) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4601300 0.86 PPARG (0.67) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4600064 0.86 PPARG (0.80) PPARGALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4601519 0.86 PPARG (0.68) PPARG
SCHEMBL4602662 0.85 PPARG (0.64) PPARG
SCHEMBL4603327 0.85 PPARG (0.82) PPARGALDH1A1LMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 — — EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 — — WO disclosed