SCHEMBL5852182

SCHEMBL5852182

COc1ccc(CC(=O)O)cc1OCC(C)c1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.44
S1PR3 Q99500 3/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR1 P21453 2/20 0.42
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PTPN1 P18031 3/20 0.39
HPSE Q9Y251 1/20 0.39

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
SCHEMBL5852561 0.84 PPARA (0.46) PPARDS1PR3S1PR5S1PR1PPARA
SCHEMBL5221031 0.79 PPARD (0.52) PPARDPPARAPPARGRXRARXRB
SCHEMBL5852591 0.78 PPARA (0.45) PPARDS1PR3S1PR5S1PR1PPARA
SCHEMBL5850832 0.78 PPARG (0.42) PPARDPPARAPPARGPSEN1PSEN2
SCHEMBL5850758 0.77 PPARD (0.59) PPARDPPARAPPARGPTPN1
SCHEMBL4471154 0.77 PPARD (0.59) PPARDPPARAPPARGPTPN1
SCHEMBL5850595 0.76 PPARG (0.51) PPARDPPARAPPARGPTPN1
SCHEMBL4476993 0.76 PPARD (0.59) PPARDPPARAPPARGPTPN1
SCHEMBL4469255 0.76 PPARD (0.59) PPARDPPARAPPARGPTPN1
SCHEMBL4067544 0.74 PPARA (0.47) PPARDPPARAPPARGPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885S1PR3 352/4885S1PR5 527/4885

“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.