SCHEMBL4467932

SCHEMBL4467932

CCOC(=O)Cn1ccc2cc(OCCCOS(=O)(=O)c3ccc(C)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ CYP24A1 Q07973 2/20 0.45
▸ ATM Q13315 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PLA2G4A P47712 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL4468257 0.95 CA12 (0.48) PPARGPPARDPPARACYP24A1ATM
SCHEMBL4477471 0.82 CA12 (0.42) PPARGPPARDPPARACYP24A1CA12
SCHEMBL9979614 0.81 MCL1 (0.51) PPARGPPARDPPARAMCL1MAPT
SCHEMBL4464391 0.81 PPARG (0.50) PPARGPPARDPPARAMCL1MAPT
SCHEMBL3687718 0.77 CA12 (0.47) CA12CA1CA9TP53KMT2A
SCHEMBL29138523 0.76 MTNR1A (0.56) ATMMAPTKMT2ANPC1
SCHEMBL19777849 0.76 ATM (0.54) ATMTP53MAPTPLA2G4AKMT2A
SCHEMBL30395677 0.73 PPARD (0.56) PPARGPPARDPPARAMCL1KMT2A
SCHEMBL4478676 0.73 PPARD (0.56) PPARGPPARDPPARAMCL1KMT2A
SCHEMBL13020433 0.73 CA12 (0.58) CA12CA1CA9KMT2ANPC1

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-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 — — US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 — — US disclosed
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
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 — — 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 (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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 2/4885

“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.

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