SCHEMBL5428359

SCHEMBL5428359

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc3cc(OCc4ccccc4)ccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.60
PPARG P37231 17/20 0.60
CYP2C9 P11712 10/20 0.60
KCNH2 Q12809 8/20 0.60
PTPN1 P18031 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
SCHEMBL6502061 0.88 PPARA (0.58) PPARAPPARGCYP2C9KCNH2
SCHEMBL5434581 0.81 PTPN1 (0.51) PPARAPPARGCYP2C9KCNH2PTPN1
SCHEMBL389034 0.79 TSHR (0.55) PPARAPPARG
SCHEMBL13717804 0.79 PPARA (0.91) PPARAPPARGCYP2C9KCNH2
SCHEMBL5425728 0.78 PPARA (0.47) PPARAPPARGCYP2C9KCNH2
SCHEMBL5425774 0.77 LPAR1 (0.59) PPARAPPARGCYP2C9KCNH2
SCHEMBL10184533 0.76 PPARA (0.55) PPARAPPARGCYP2C9KCNH2
SCHEMBL13718167 0.76 PPARA (0.85) PPARAPPARGCYP2C9KCNH2
SCHEMBL13899431 0.76 PPARA (0.61) PPARAPPARGCYP2C9KCNH2
SCHEMBL31503969 0.75 PPARA (0.48) PPARAPPARGCYP2C9KCNH2

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
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 615/4885CYP2C9 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.