SCHEMBL12097017

SCHEMBL12097017

CC(C)c1ccc(S(=O)(=O)n2ccc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.55
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL14631737 0.86 HTR6 (0.53) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL30075056 0.86 HTR6 (0.53) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL28037053 0.83 HTR6 (0.63) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL947751 0.82 HTR6 (0.63) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL948701 0.81 HTR6 (0.58) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL947644 0.79 HTR6 (0.72) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL1444485 0.78 PPARG (0.40) HTR6
SCHEMBL28685370 0.78 HTR6 (0.56) HTR6POLBL3MBTL1HDAC1HDAC6
SCHEMBL1444197 0.77 HTR6 (0.61) HTR6POLBL3MBTL1MEN1ALDH1A1
SCHEMBL12096981 0.75 PPARG (0.57) HTR6

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 HTR6 129/4885POLB 2609/4885L3MBTL1 2948/4885

“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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