SCHEMBL12096936

SCHEMBL12096936

CC(C)c1ccc(S(=O)(=O)n2c(C(O)c3cccc(C(=O)O)c3)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 5/20 0.52
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ PPARG P37231 8/20 0.44
▸ PPARA Q07869 6/20 0.44
▸ PPARD Q03181 5/20 0.44
▸ CCR2 P41597 1/20 0.41
▸ PHGDH O43175 3/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL12096852 0.90 ACLY (0.53) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL28800057 0.85 ACLY (0.43) ACLYCA1CA2CA9PPARG
SCHEMBL28800056 0.83 ACLY (0.41) ACLYCA1CA2CA9PPARG
SCHEMBL12096711 0.81 PPARG (0.52) ACLYPPARGPPARAPPARDCCR2
SCHEMBL12096867 0.77 PPARG (0.47) ACLYCA1CA2CA9PPARG
SCHEMBL12096680 0.76 ACLY (0.52) ACLYPPARGPPARAPPARDCCR2
SCHEMBL12096941 0.75 PPARG (0.52) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL17927565 0.75 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL12096836 0.74 PPARG (0.43) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL12096736 0.74 ACLY (0.49) ACLYPPARGPPARAPPARDPHGDH

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 3538/4885CA1 4719/4885CA2 4693/4885

“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.

Send feedback