SCHEMBL5375353

SCHEMBL5375353

Cc1[nH]c2ccc(OS(=O)(=O)c3c(F)cccc3F)cc2c1C1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.59
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRL1 P41146 2/20 0.40
HTR2A P28223 1/20 0.39
CCR2 P41597 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
MET P08581 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CCR3 P51677 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPKAPK5 Q8IW41 1/20 0.35

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
SCHEMBL6646899 0.90 HTR6 (0.47) HTR6OPRM1OPRK1OPRD1OPRL1
SCHEMBL5373938 0.85 HTR2A (0.46) HTR6OPRM1OPRK1OPRD1OPRL1
SCHEMBL5365362 0.81 HTR6 (0.76) HTR6
Hydrochloric Acid SCHEMBL5375438 0.76 MCHR1 (0.52) HTR6OPRM1OPRK1OPRD1OPRL1
SCHEMBL5651289 0.76 HTR6 (0.58) HTR6
SCHEMBL5372049 0.76 HTR6 (0.85) HTR6
Hydrochloric Acid SCHEMBL5651285 0.76 HTR6 (0.58) HTR6
SCHEMBL5383569 0.75 HTR6 (0.79) HTR6
SCHEMBL5372562 0.74 HTR6 (0.58) HTR6
SCHEMBL5371232 0.74 HTR6 (0.71) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP claimed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 US claimed
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP claimed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 WO claimed
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP disclosed
EP-1633754-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
WO-2004101569-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 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 (2 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-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor HTR6, HTR5A, TPH1 HTR6 1/4885OPRM1 177/4885OPRK1 135/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 HTR6 1/4885OPRM1 228/4885OPRK1 161/4885

“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.