SCHEMBL12096644

SCHEMBL12096644

COc1cccc(S(=O)(=O)n2c(Cc3ccc(C(=O)O)cc3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.70
▸ PPARA Q07869 9/20 0.70
▸ PPARD Q03181 8/20 0.70
▸ PTGER2 P43116 1/20 0.46
▸ TAS2R14 Q9NYV8 2/20 0.43
▸ RORC P51449 3/20 0.40
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL12096612 0.91 PPARG (0.70) PPARGPPARAPPARDRORC
SCHEMBL12096776 0.90 PPARG (0.68) PPARGPPARAPPARDTAS2R14RORC
SCHEMBL12096795 0.88 PPARG (0.54) PPARGPPARAPPARDRORC
SCHEMBL12096713 0.88 PPARG (0.53) PPARGPPARAPPARDRORCHTR6
SCHEMBL12096657 0.87 PPARG (0.53) PPARGPPARAPPARDRORCHTR6
SCHEMBL12096901 0.86 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL12096948 0.86 PPARG (0.68) PPARGPPARAPPARDPTGER2TAS2R14
SCHEMBL12096720 0.86 PPARG (0.54) PPARGPPARAPPARDRORC
SCHEMBL12096722 0.86 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL12097019 0.86 PPARG (0.55) 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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