SCHEMBL5850682

SCHEMBL5850682

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)(C)Sc1cccc(CC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.45
PPARG P37231 7/20 0.45
PPARA Q07869 6/20 0.45
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 5/20 0.41
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
IKBKB O14920 1/20 0.38
HPSE Q9Y251 1/20 0.37
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL5852344 0.90 PPARG (0.41) PPARDPPARGPPARATP53MAPT
SCHEMBL5051616 0.83 PPARD (0.47) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL5850797 0.82 PPARD (0.45) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL6613591 0.81 PPARD (0.47) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL4466730 0.81 PPARD (0.51) PPARDPPARGPPARATP53MAPT
SCHEMBL6613589 0.79 PPARD (0.49) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL5852080 0.76 PPARD (0.50) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL5850863 0.75 TP53 (0.45) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL14606024 0.75 PPARD (0.45) PPARDPPARGPPARAPSEN1PSEN2
SCHEMBL5057764 0.75 PSEN1 (0.46) PPARDPPARGPPARAPSEN1PSEN2

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-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

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 3/4885PPARG 1/4885PPARA 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.