SCHEMBL4363798

SCHEMBL4363798

Cc1ccccc1S(=O)(=O)OC[C@H]1COc2ccc3ncccc3c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
AIMP2 Q13155 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CA2 P00918 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPY1R P25929 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4335133 0.87 LMNA (0.39) HTR1AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4363802 0.87 LMNA (0.39) HTR1AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL5235467 0.83 NMT1 (0.40) HTR1AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4363805 0.83 AIMP2 (0.35) HTR1AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL5235470 0.83 NMT1 (0.40) HTR1AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL10919967 0.79 CA2 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11133063 0.75 CA2 (0.47) LMNASMN1; SMN2MEN1KMT2ACA2
SCHEMBL4538637 0.74 LTA4H (0.40) HTR1AHTTLMNASLC6A4MEN1
SCHEMBL6628114 0.73 LMNA (0.37) HTR1AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL6631935 0.73 LMNA (0.37) HTR1AHTTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-6939877-B2 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH (US) 2005-09-06 US disclosed
EP-1537120-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth, A Corporation of the State of Delaware (US) 2005-06-08 EP disclosed
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-29 US disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 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-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans HTR5A, OPRD1, CRH HTR1A 44/4885HTT 1315/4885ALDH1A1 363/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HTR1A 39/4885HTT 935/4885ALDH1A1 394/4885

“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.