SCHEMBL12096871

SCHEMBL12096871

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 7/20 0.39
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33

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
SCHEMBL12096645 0.92 RXRA (0.41) ACLYRXRARXRBRECQLHDAC3
SCHEMBL12096719 0.90 PPARG (0.41) ACLYRXRARXRBRECQLHDAC3
SCHEMBL12096627 0.89 RECQL (0.47) ACLYRXRARXRBRECQLHDAC3
SCHEMBL12096891 0.88 PPARG (0.45) ACLYRXRARXRBHDAC3HDAC11
SCHEMBL12096598 0.83 RORC (0.41) ACLYRXRARXRBRECQLHDAC3
SCHEMBL12096873 0.81 PPARG (0.41) ACLYRXRARXRBHDAC3HDAC11
SCHEMBL12096652 0.81 PHGDH (0.43) ACLYRXRARXRBHDAC3HDAC11
SCHEMBL12096659 0.79 PPARG (0.45) RXRARXRBHDAC3HDAC11HDAC8
SCHEMBL12096606 0.79 PPARG (0.45) RXRARXRBHDAC3HDAC11HDAC8
SCHEMBL12096605 0.79 PPARG (0.45) RXRARXRBHDAC3HDAC11HDAC8

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 3538/4885RXRA 205/4885RXRB 192/4885

“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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