SCHEMBL5423669

SCHEMBL5423669

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCN3c4ccccc4Sc4ccccc43)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
PPARG P37231 4/20 0.54
SMPD1 P17405 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
BCHE P06276 2/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL5428115 0.89 PPARA (0.56) PPARAPPARGSMPD1KDM4EALDH1A1
SCHEMBL5427770 0.84 SMPD1 (0.44) PPARAPPARGSMPD1KDM4ETP53
SCHEMBL5434311 0.84 PPARA (0.52) PPARAPPARGTP53MAPK1MAPT
SCHEMBL6073175 0.83 PPARA (0.44) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL5434312 0.81 PPARA (0.56) PPARAPPARGSMPD1MAPK1ALDH1A1
SCHEMBL5441860 0.80 PPARA (0.56) PPARAPPARGSMPD1LMNA
SCHEMBL6073002 0.79 NPSR1 (0.51) PPARAPPARGKDM4EMAPTALDH1A1
SCHEMBL5428793 0.78 PPARA (0.52) PPARAPPARGKDM4EALDH1A1LMNA
SCHEMBL5424335 0.77 LTA4H (0.55) PPARAPPARGMAPTMEN1KMT2A
SCHEMBL5430182 0.77 PPARA (0.54) PPARAPPARGKDM4EMAPTALDH1A1

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 615/4885SMPD1 387/4885

“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.