SCHEMBL5434311

SCHEMBL5434311

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCN3CCSc4ccccc43)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
PPARG P37231 5/20 0.52
MAPT P10636 7/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.42
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
DRD3 P35462 1/20 0.39
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14360176 0.90 MAPT (0.47) PPARAPPARGMAPTTP53LMNA
SCHEMBL5426375 0.84 MAPT (0.47) PPARAPPARGMAPTTP53LMNA
SCHEMBL5423669 0.84 PPARA (0.54) PPARAPPARGMAPTTP53LMNA
SCHEMBL5434965 0.84 MAPT (0.52) PPARAPPARGMAPTTP53LMNA
SCHEMBL5428793 0.83 PPARA (0.52) PPARAPPARGLMNAALDH1A1DRD3
SCHEMBL6073175 0.79 PPARA (0.44) PPARAPPARGMAPTLMNAALDH1A1
SCHEMBL5428115 0.78 PPARA (0.56) PPARAPPARGLMNAALDH1A1CYP2C9
SCHEMBL5441860 0.76 PPARA (0.56) PPARAPPARGLMNA
SCHEMBL5437303 0.76 PPARA (0.54) PPARAPPARGALDH1A1DRD3
SCHEMBL5441821 0.76 MAPT (0.52) PPARAPPARGMAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 PPARA 990/4885PPARG 615/4885MAPT 162/4885

“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.