SCHEMBL4906723

SCHEMBL4906723

Cc1ccc(S(=O)(=O)OCC2COc3ccc4nccnc4c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CA2 P00918 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
FFAR1 O14842 3/20 0.31
HTR6 P50406 1/20 0.31
PRMT5 O14744 1/20 0.31

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
SCHEMBL5765990 1.00 LMNA (0.38) LMNAALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL4906739 0.88 LMNA (0.37) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL4902859 0.88 LMNA (0.37) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL4335133 0.86 LMNA (0.39) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL4363802 0.86 LMNA (0.39) LMNAALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL5764664 0.85 LMNA (0.38) LMNAALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL5766908 0.85 LMNA (0.38) LMNAALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL6772912 0.83 LMNA (0.38) LMNAALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL6772922 0.83 LMNA (0.38) LMNAALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL5766806 0.83 LMNA (0.37) LMNAALDH1A1KDM4ESMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 EP claimed
EP-1381614-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-f]QUINOXALINE Wyeth (US) 2004-01-21 EP claimed
US-6617327-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-09-09 US claimed
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline WYETH 2002-12-05 US claimed
WO-2002088144-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-f]QUINOXALINE WYETH (US) 2002-11-07 WO claimed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
EP-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 EP disclosed
US-7008944-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-Dioxino[2,3-f]quinoxaline WYETH (US) 2006-03-07 US disclosed
US-20040077652-A1 Treating obsessive compulsive disorder, panic attacks, sexual disorders, eating disorders, obesity, drug abuse and ethanol or cocaine dependence; anxiolytic agents WYETH 2004-04-22 US disclosed
US-6617327-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-09-09 US disclosed
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline WYETH 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 (4 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C LMNA 4524/4885ALDH1A1 437/4885KDM4E 2502/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C LMNA 4524/4885ALDH1A1 437/4885KDM4E 2502/4885
US-20040077652-A1 Treating obsessive compulsive disorder, panic attacks, sexual disorders, eating disorders, obesity, drug abuse and ethanol or cocaine dependence; anxiolytic agents OPRD1, DRD1, ADH1A LMNA 4618/4885ALDH1A1 45/4885KDM4E 2586/4885
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline OPRD1, OPRK1, DRD2 LMNA 4332/4885ALDH1A1 185/4885KDM4E 388/4885

“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.