SCHEMBL4256733

SCHEMBL4256733

O=C(O)Cc1cccc2c(NCc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 1.00
NR1H3 Q13133 19/20 1.00
PPARG P37231 4/20 1.00
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL4261677 0.96 NR1H2 (0.92) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4266459 0.91 NR1H2 (0.82) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4262946 0.88 NR1H2 (0.78) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4265610 0.88 NR1H2 (0.78) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4265614 0.87 NR1H2 (0.77) NR1H2NR1H3PPARGAURKARPS6KB1
SCHEMBL3280067 0.87 NR1H2 (0.77) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4259317 0.84 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4262961 0.83 NR1H2 (0.71) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4258242 0.83 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4267423 0.79 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA

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-20090069373-A1 Quinoline Acids WYETH (US) 2009-03-12 US claimed
US-20090069373-A1 Quinoline Acids WYETH (US) 2009-03-12 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-20090069373-A1 Quinoline Acids NR1H3, NR1H2, NR1H4 NR1H2 2/4885NR1H3 1/4885PPARG 37/4885

“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.