SCHEMBL5424327

SCHEMBL5424327

CCn1c(C)cc(=O)n(CCOc2ccc(CN(CC(=O)O)C(=O)Oc3ccc(OC)cc3)cc2)c1=S

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.48
PPARG P37231 12/20 0.48
CYP2C9 P11712 4/20 0.38
KCNH2 Q12809 4/20 0.38
KLK1 P06870 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL5430265 0.85 PPARA (0.35) PPARAPPARGKLK1POLB
SCHEMBL5441860 0.76 PPARA (0.56) PPARAPPARG
SCHEMBL5454625 0.75 PGR (0.59) PPARAPPARGCYP2C9KCNH2KDM4E
SCHEMBL5431707 0.74 PPARA (0.50) PPARAPPARGCYP2C9KCNH2KLK1
SCHEMBL5437303 0.72 PPARA (0.54) PPARAPPARGKDM4EALDH1A1POLB
SCHEMBL5434327 0.72 PPARA (0.49) PPARAPPARGCYP2C9KCNH2ALDH1A1
SCHEMBL5433009 0.72 PPARA (0.49) PPARAPPARGCYP2C9KCNH2KDM4E
SCHEMBL5434312 0.71 PPARA (0.56) PPARAPPARGCYP2C9KCNH2ALDH1A1
SCHEMBL5423669 0.71 PPARA (0.54) PPARAPPARGKDM4EALDH1A1
SCHEMBL5428115 0.71 PPARA (0.56) PPARAPPARGCYP2C9KCNH2KDM4E

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
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

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 615/4885CYP2C9 76/4885

“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.