SCHEMBL13399149

SCHEMBL13399149

CCOC(=O)CC(C)(C)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CYP4F2 P78329 4/20 0.43
CYP4A11 Q02928 4/20 0.43
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 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
SCHEMBL7668564 0.89 GAA (0.50) GAAMGAMSIMGAM2CYP4F2
SCHEMBL22070619 0.88 CYP4F2 (0.53) GAAMGAMSIMGAM2CYP4F2
SCHEMBL13732997 0.88 CYP4F2 (0.36) GAAMGAMSIMGAM2CYP4F2
SCHEMBL4996013 0.87 GAA (0.48) GAAMGAMSIMGAM2CYP4F2
SCHEMBL232993 0.84 GAA (0.55) GAAMGAMSIMGAM2CYP4F2
SCHEMBL15012601 0.83 TDP1 (0.54) GAAMGAMSIMGAM2CYP4F2
SCHEMBL2991171 0.83 TDP1 (0.54) GAAMGAMSIMGAM2CYP4F2
SCHEMBL9512942 0.82 BHMT (0.39) GAAMGAMSIMGAM2CYP4F2
SCHEMBL6898390 0.82 GAA (0.43) GAAMGAMSIMGAM2CYP4F2
SCHEMBL9511916 0.82 ALDH1A1 (0.50) GAAMGAMSIMGAM2CYP4F2

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-9487492-B2 Dibenzothiazepine derivatives and their use in the treatment of CNS disorders NUMEDICUS LIMITED (GB) 2016-11-08 US disclosed
EP-2699559-B1 DIBENZOTHIAZEPINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS NUMEDICUS LTD (GB) 2016-04-06 EP disclosed
US-20140243317-A1 DIBENZOTHIAZEPINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS NUMEDICUS LIMITED (GB) 2014-08-28 US disclosed
EP-2699559-A1 DIBENZOTHIAZEPINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS Numedicus Limited (GB) 2014-02-26 EP disclosed
WO-2012143703-A1 DIBENZOTHIAZEPINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS NUMEDICUS LIMITED (GB) 2012-10-26 WO disclosed
WO-2010039531-A1 THERAPEUTIC COMPOUNDS RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 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 (1 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-20140243317-A1 DIBENZOTHIAZEPINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SLC6A3, DRD1, AVPR2 GAA 2990/4885MGAM 3053/4885SI 4360/4885

“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.