SCHEMBL12096697

SCHEMBL12096697

CC(C)c1ccc(S(=O)(=O)n2c(B(O)O)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.47
▸ PPARA Q07869 8/20 0.47
▸ PPARD Q03181 7/20 0.47
▸ NOD1 Q9Y239 2/20 0.39
▸ PHGDH O43175 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL12096639 0.84 PPARG (0.45) PPARGPPARAPPARDNOD1PHGDH
SCHEMBL12096695 0.82 PPARG (0.54) PPARGPPARAPPARDNOD1PHGDH
SCHEMBL12096981 0.82 PPARG (0.57) PPARGPPARAPPARDNOD1PHGDH
SCHEMBL12096858 0.79 PPARG (0.46) PPARGPPARAPPARDHTR6ALDH1A1
SCHEMBL12096867 0.77 PPARG (0.47) PPARGPPARAPPARDNOD1PHGDH
SCHEMBL12097017 0.75 HTR6 (0.55) HTR6ALDH1A1TSHR
SCHEMBL12096737 0.75 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL3520953 0.75 PPARG (0.54) PPARGPPARAPPARDPHGDH
SCHEMBL3528095 0.74 PPARG (0.52) PPARGPPARAPPARDPHGDHALDH1A1
SCHEMBL1444485 0.74 PPARG (0.40) PPARGPPARAPPARDNOD1PHGDH

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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