Sugi Predict

Sugi Predict / Compounds / SCHEMBL946516

SCHEMBL946516

SCHEMBL946516

Cc1ccc(S(=O)(=O)n2cc(CO)c3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.74
▸ ALK Q9UM73 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ CYP19A1 P11511 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.64
▸ UBE2N P61088 1/20 0.64
▸ HTR1A P08908 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ HTR1D P28221 1/20 0.56
▸ HTR1B P28222 1/20 0.56
▸ HTR1F P30939 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ ALOX5 P09917 1/20 0.56
▸ PTGS2 P35354 1/20 0.56

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
SCHEMBL31366254 0.88 HTR6 (0.73) HTR6ALKL3MBTL1CYP19A1KDM4E
SCHEMBL946691 0.88 HTR6 (0.75) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL12700490 0.87 HTR6 (0.72) HTR6ALKL3MBTL1CYP19A1KDM4E
SCHEMBL945595 0.87 HTR6 (0.72) HTR6ALKL3MBTL1CYP19A1KDM4E
SCHEMBL2132873 0.87 HTR6 (0.72) HTR6ALKL3MBTL1CYP19A1KDM4E
SCHEMBL9054387 0.87 HTR6 (0.67) HTR6ALKL3MBTL1CYP19A1KDM4E
SCHEMBL16375238 0.86 HTR6 (0.79) HTR6ALKL3MBTL1CYP19A1KDM4E
SCHEMBL13125603 0.86 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL13125601 0.86 HTR6 (0.63) HTR6L3MBTL1HTR1ADRD2HTR1D
SCHEMBL950268 0.86 AKR1C3 (0.67) HTR6ALKL3MBTL1HTR1ADRD2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409627-B Acetyl aryl hydrazone derivative containing indole fragment and application thereof 河北科技大学 2021-11-23 — — CN disclosed
CN-108409627-A The acetyl virtue hydrazone analog derivative of the segment containing indoles and its application 河北科技大学 2018-08-17 — — CN disclosed
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 — — EP disclosed
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 — — EP disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 — — US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 — — US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 — — US disclosed
EP-2516439-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-10-31 — — EP disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 — — WO disclosed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 — — WO disclosed
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
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 — — 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
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 — — EP disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 — — 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 (3 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-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES REN, PKD1, NR3C2 HTR6 1518/4885ALK 4203/4885L3MBTL1 4878/4885
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 12/4885ALK 286/4885L3MBTL1 4865/4885
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH HTR6 2622/4885ALK 4646/4885L3MBTL1 1864/4885

“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.