SCHEMBL12096639

SCHEMBL12096639

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.45
▸ PPARD Q03181 3/20 0.45
▸ PPARA Q07869 4/20 0.44
▸ HTR6 P50406 2/20 0.43
▸ NOD1 Q9Y239 1/20 0.42
▸ ACLY P53396 3/20 0.41
▸ PSEN1 P49768 2/20 0.41
▸ PSEN2 P49810 2/20 0.41
▸ APH1B Q8WW43 2/20 0.41
▸ NCSTN Q92542 2/20 0.41
▸ APH1A Q96BI3 2/20 0.41
▸ PSENEN Q9NZ42 2/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ PHGDH O43175 3/20 0.40
▸ LMNA P02545 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
SCHEMBL12096697 0.84 PPARG (0.47) PPARGPPARDPPARAHTR6NOD1
SCHEMBL3529263 0.76 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL12096852 0.75 ACLY (0.53) PPARGPPARDPPARAACLYPSEN1
SCHEMBL3520435 0.74 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL12096680 0.74 ACLY (0.52) PPARGPPARDPPARANOD1ACLY
SCHEMBL3521712 0.74 PPARG (0.61) PPARGPPARDPPARAPHGDH
SCHEMBL12096941 0.73 PPARG (0.52) PPARGPPARDPPARAACLYPHGDH
SCHEMBL947751 0.73 HTR6 (0.63) HTR6LMNA
SCHEMBL3524918 0.72 PPARG (0.56) PPARGPPARDPPARAACLYPSEN1
SCHEMBL12096936 0.72 ACLY (0.52) PPARGPPARDPPARAACLYPSEN1

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 423/4885PPARD 302/4885PPARA 564/4885

“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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