SCHEMBL5765746

SCHEMBL5765746

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CA2 P00918 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ACHE P22303 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
SCHEMBL6746121 1.00 LMNA (0.41) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4929048 0.99 LMNA (0.40) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6203470 0.99 LMNA (0.40) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL7676015 0.93 LMNA (0.42) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6764944 0.92 LMNA (0.41) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL5103621 0.89 LMNA (0.39) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL7234943 0.88 LMNA (0.39) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL5111854 0.86 LMNA (0.38) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL5113554 0.86 LMNA (0.38) LMNACA2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL6777770 0.86 LMNA (0.38) LMNACA2SMN1; SMN2CYP3A4ALDH1A1

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-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
EP-1381614-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-f]QUINOXALINE Wyeth (US) 2004-01-21 EP 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
WO-2002088144-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-f]QUINOXALINE 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-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 4618/4885CA2 4525/4885SMN1; SMN2 3763/4885
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline OPRD1, OPRK1, DRD2 LMNA 4332/4885CA2 4385/4885SMN1; SMN2 3593/4885

“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.