SCHEMBL6627422

SCHEMBL6627422

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc(OCc4ccccc4)c(CCCO)c3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
AR P10275 1/20 0.33
FFAR1 O14842 1/20 0.33
HTR1A P08908 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
SCHEMBL6631274 1.00 LMNA (0.37) LMNAKDM4EALDH1A1HPGDRECQL
SCHEMBL6632445 0.96 LMNA (0.37) LMNAKDM4EALDH1A1HPGDRECQL
SCHEMBL6627233 0.96 LMNA (0.37) LMNAKDM4EALDH1A1HPGDRECQL
SCHEMBL6676539 0.86 LMNA (0.38) LMNAKDM4EALDH1A1HPGDRECQL
SCHEMBL6674662 0.86 LMNA (0.38) LMNAKDM4EALDH1A1HPGDRECQL
SCHEMBL5957072 0.80 PRMT5 (0.36) LMNAALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL21198804 0.77 NPC1 (0.48) LMNAALDH1A1HPGDSMN1; SMN2AR
SCHEMBL21213918 0.77 NPC1 (0.48) LMNAALDH1A1HPGDSMN1; SMN2AR
SCHEMBL5103595 0.74 RAB9A (0.42) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL5112302 0.73 RAB9A (0.41) LMNAALDH1A1MAPTSMN1; SMN2POLB

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 7 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
EP-1381613-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED- 1,4]-BENZODIOXANS Wyeth (US) 2004-01-21 EP 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
WO-2002088135-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-[1,4]-BENZODIOXANS WYETH (US) 2002-11-07 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 (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 4362/4885KDM4E 1644/4885ALDH1A1 77/4885
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4325/4885KDM4E 1815/4885ALDH1A1 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.