SCHEMBL6096852

SCHEMBL6096852

C=CCN[C@@H]1C[C@@H](CC=C)S(=O)(=O)c2sccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.32
HTR1A P08908 1/20 0.32
PDE7A Q13946 1/20 0.30

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
SCHEMBL6091848 1.00 CA2 (0.32) CA2HTR1APDE7A
SCHEMBL4469209 0.79
SCHEMBL6097617 0.75 ALDH1A1 (0.41) CA2HTR1A
SCHEMBL6094031 0.75 CA2 (0.63) CA2
SCHEMBL6095172 0.75 CA2 (0.63) CA2
SCHEMBL13852709 0.68 CA2 (0.54) CA2
SCHEMBL12315845 0.68 CA2 (0.54) CA2
SCHEMBL6086047 0.68 CA2 (0.54) CA2
Hydrochloric Acid SCHEMBL4192529 0.67 CA2 (0.53) CA2
SCHEMBL3614623 0.65 HTR1A (0.35) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030250-B2 Process for obtaining 4-(N-alkylamino)-5,6-dihydro-4H-thien-(2,3-b)-thiopyran-2-sulfonamide-7,7-dioxides and intermediates RAGATIVES, S.L. (ES) 2006-04-18 US disclosed
EP-1329453-B1 METHOD FOR OBTAINING 4-(N-ALKYLAMINE)-5, 6-DIHYDRO-4H-THIENO-(2,3-B)-THIOPYRAN-2-SULFONAMIDE-7, 7-DIOXIDES AND INTERMEDIATE PRODUCTS RAGACTIVES SL (ES) 2004-06-16 EP disclosed
US-20030220509-A1 Process for obtaining 4-(N-alkylamino)-5,6-dihydro-4H-thien-(2,3-b)-thiopyran-2-sulfonamide-7,7-dioxides and intermediates RAGACTIVES, S.L. 2003-11-27 US disclosed
EP-1329453-A1 METHOD FOR OBTAINING 4-(N-ALKYLAMINE)-5, 6-DIHYDRO-4H-THIENO-(2,3-B)-THIOPYRAN-2-SULFAMIDE-7, 7-DIOXIDES AND INTERMEDIATE PRODUCTS Ragactives, S.L. (ES) 2003-07-23 EP 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-20030220509-A1 Process for obtaining 4-(N-alkylamino)-5,6-dihydro-4H-thien-(2,3-b)-thiopyran-2-sulfonamide-7,7-dioxides and intermediates CA7, CA2, CA4 CA2 2/4885HTR1A 557/4885PDE7A 1212/4885

“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.