SCHEMBL12096852

SCHEMBL12096852

CC(C)c1ccc(S(=O)(=O)n2c(C(O)c3ccc(C(=O)O)cc3)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 7/20 0.53
▸ PHGDH O43175 4/20 0.47
▸ PPARG P37231 6/20 0.45
▸ PPARD Q03181 3/20 0.45
▸ PPARA Q07869 4/20 0.44
▸ CNR1 P21554 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 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
SCHEMBL12096936 0.90 ACLY (0.52) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096867 0.86 PPARG (0.47) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096836 0.83 PPARG (0.43) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096680 0.83 ACLY (0.52) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096941 0.82 PPARG (0.52) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL15519840 0.82 CNR1 (0.39) ACLYCNR1
SCHEMBL12096736 0.81 ACLY (0.49) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096850 0.80 RXRA (0.49) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096779 0.78 ACLY (0.45) ACLYPHGDHCNR1
SCHEMBL12096771 0.77 PPARG (0.45) ACLYPPARGPPARDPPARA

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 ACLY 3538/4885PHGDH 4539/4885PPARG 423/4885

“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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