SCHEMBL12096645

SCHEMBL12096645

CC(C)(C)c1cccc(S(=O)(=O)n2c(C(O)c3ccc(C(=O)O)cc3)cc3cc(C(C)(C)C)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RECQL P46063 1/20 0.39
▸ PPARG P37231 5/20 0.38
▸ PPARA Q07869 5/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ACLY P53396 4/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SRD5A2 P31213 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA9 Q16790 2/20 0.35

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
SCHEMBL12096891 0.95 PPARG (0.45) RXRARXRBPPARGPPARAPPARD
SCHEMBL12096719 0.93 PPARG (0.41) RXRARXRBRECQLPPARGPPARA
SCHEMBL12096871 0.92 ACLY (0.39) RXRARXRBRECQLPPARGPPARA
SCHEMBL12096627 0.92 RECQL (0.47) RXRARXRBRECQLPPARGHDAC3
SCHEMBL12096598 0.87 RORC (0.41) RXRARXRBRECQLHDAC3HDAC11
SCHEMBL12096659 0.86 PPARG (0.45) RXRARXRBPPARGPPARAPPARD
SCHEMBL12096605 0.86 PPARG (0.45) RXRARXRBPPARGPPARAPPARD
SCHEMBL12096606 0.86 PPARG (0.45) RXRARXRBPPARGPPARAPPARD
SCHEMBL12096652 0.84 PHGDH (0.43) RXRARXRBPPARGHDAC3HDAC11
SCHEMBL12096771 0.84 PPARG (0.45) RXRARXRBRECQLPPARGPPARA

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 RXRA 205/4885RXRB 192/4885RECQL 2457/4885

“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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