SCHEMBL4028440

SCHEMBL4028440

CCOC(Cc1ccc(OCc2nc(-c3ccccn3)oc2C)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.71
PPARG P37231 17/20 0.71
PPARD Q03181 4/20 0.55
FFAR1 O14842 1/20 0.53

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
SCHEMBL4028444 1.00 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL16470909 0.89 PPARG (0.81) PPARAPPARGPPARDFFAR1
SCHEMBL4027730 0.88 PPARG (0.56) PPARAPPARGPPARDFFAR1
SCHEMBL4030152 0.86 PPARA (0.68) PPARAPPARGPPARDFFAR1
SCHEMBL4028955 0.85 PPARA (0.78) PPARAPPARGPPARDFFAR1
SCHEMBL4028579 0.85 PPARA (0.78) PPARAPPARGPPARDFFAR1
SCHEMBL4027656 0.84 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL4027664 0.84 PPARA (0.71) PPARAPPARGPPARDFFAR1
SCHEMBL4026930 0.83 PPARA (0.70) PPARAPPARGPPARDFFAR1
SCHEMBL4026027 0.83 PPARA (0.70) PPARAPPARGPPARDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US claimed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 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 (2 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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARA 2339/4885PPARG 2043/4885PPARD 1965/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARA 2339/4885PPARG 2043/4885PPARD 1965/4885

“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.