SCHEMBL1444197

SCHEMBL1444197

CC(C)(C)c1cccc(S(=O)(=O)n2ccc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.61
▸ RORC P51449 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ PPARG P37231 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL28037053 0.84 HTR6 (0.63) HTR6L3MBTL1POLBALDH1A1PPARG
SCHEMBL28207047 0.83 HTR6 (0.63) HTR6RORCL3MBTL1ALDH1A1HTT
SCHEMBL12096726 0.83 HTR6 (0.63) HTR6L3MBTL1POLBALDH1A1HTT
SCHEMBL14631737 0.80 HTR6 (0.53) HTR6L3MBTL1POLBALDH1A1PPARG
SCHEMBL30075056 0.80 HTR6 (0.53) HTR6L3MBTL1POLBALDH1A1PPARG
SCHEMBL12096636 0.80 HTR6 (0.46) HTR6L3MBTL1ALDH1A1HTTCA1
SCHEMBL3323074 0.78 HTR6 (0.56) HTR6RORCL3MBTL1POLBPPARG
SCHEMBL12097017 0.77 HTR6 (0.55) HTR6L3MBTL1POLBALDH1A1HTT
SCHEMBL28857521 0.77 RORC (0.57) HTR6RORCL3MBTL1ALDH1A1HTT
SCHEMBL3407154 0.77 HTR6 (1.00) 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 3 patents. 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
EP-2475642-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 S.A. (FR) 2012-07-18 — — EP disclosed
WO-2011030068-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) 2011-03-17 — — WO 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 129/4885RORC 166/4885L3MBTL1 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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