SCHEMBL12096772

SCHEMBL12096772

COc1ccc(C(=O)O)cc1Cc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.54
▸ PPARA Q07869 9/20 0.54
▸ PPARD Q03181 8/20 0.54
▸ ERAP1 Q9NZ08 5/20 0.39
▸ RORC P51449 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ERAP2 Q6P179 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
SCHEMBL12096616 0.89 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL12096748 0.88 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL12096692 0.88 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL12096855 0.87 PPARG (0.56) PPARGPPARAPPARDRORC
SCHEMBL12096713 0.86 PPARG (0.53) PPARGPPARAPPARDRORC
SCHEMBL12096757 0.85 PPARG (0.54) PPARGPPARAPPARDRORC
SCHEMBL12099650 0.85 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL12096750 0.85 PPARG (0.55) PPARGPPARAPPARDRORC
SCHEMBL27950253 0.84 PPARG (0.43) PPARGPPARAPPARDERAP1PTGDR2
SCHEMBL12096925 0.84 PPARG (0.54) PPARGPPARAPPARDRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 — — 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A PPARG 423/4885PPARA 564/4885PPARD 302/4885

“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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