SCHEMBL948959

SCHEMBL948959

COc1ccc(S(=O)(=O)n2cc(CCl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.65
PPARG P37231 2/20 0.59
PPARD Q03181 2/20 0.59
PPARA Q07869 2/20 0.59
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53
HTR1F P30939 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL4775130 0.91 HTR6 (0.71) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL950363 0.89 HTR6 (0.64) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL947233 0.87 HTR6 (0.60) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL947842 0.86 HTR6 (0.55) HTR6
SCHEMBL946427 0.86 HTR6 (0.72) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL4792918 0.85 HTR6 (0.70) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL947565 0.85 HTR6 (0.69) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL945925 0.85 HTR6 (0.69) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL948631 0.84 HTR6 (0.75) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL4776877 0.84 HTR6 (0.53) HTR6PPARGPPARDPPARACYP3A4

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-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C HTR6 12/4885PPARG 1451/4885PPARD 1019/4885

“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.