SCHEMBL4466737

SCHEMBL4466737

CCS(C)(c1ccc2c(CC(=O)O)coc2c1)c1oc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.51
PPARA Q07869 8/20 0.51
PPARG P37231 6/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.38

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
SCHEMBL5850689 0.81 PSEN1 (0.44) PPARDPPARAPPARGMAPT
SCHEMBL4466730 0.76 PPARD (0.51) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL4468965 0.76 PPARD (0.53) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL6224733 0.76 PPARD (0.52) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL6221957 0.74 PPARD (0.49) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL6221959 0.74 PPARD (0.51) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL5852351 0.73 CYP2C9 (0.41) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL4480854 0.72 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL5057764 0.71 PSEN1 (0.46) PPARDPPARAPPARGMAPTTP53
SCHEMBL4476635 0.70 PPARD (0.49) PPARDPPARAPPARGMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US claimed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP claimed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO claimed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 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-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885

“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.