SCHEMBL6626563

SCHEMBL6626563

Cc1ccc(S(=O)(=O)OCC2COc3ccc4c(c3O2)CCCO4)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL6630201 1.00 LMNA (0.40) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL6627467 0.94 LMNA (0.40) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL6627473 0.94 LMNA (0.40) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL6331495 0.87 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL6333195 0.87 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL7676015 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL7679738 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
Hydrochloric Acid SCHEMBL6764944 0.81 LMNA (0.41) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL13958189 0.81 LMNA (0.38) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL6976444 0.81 LMNA (0.48) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381613-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-(1,4)-BENZODIOXANS WYETH CORP (US) 2004-10-13 EP disclosed
US-6706736-B2 AMINES SUCH AS 3-(1-((8-METHYL-2,3-DIHYDROFURO(2,3-F)(1,4) BENZODIOXIN-2-YL)METHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE, ADMINISTERED AS SEROTONIN REUPTAKE INHIBITORS OR ANXIOLYTIC AGENTS WYETH 2004-03-16 US disclosed
US-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2003-08-28 US disclosed
US-6552049-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-04-22 US disclosed
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2002-12-05 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 (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-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4362/4885SMN1; SMN2 2162/4885ALDH1A1 77/4885
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4325/4885SMN1; SMN2 2149/4885ALDH1A1 109/4885

“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.