SCHEMBL9683285

SCHEMBL9683285

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
PKM P14618 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.33
SOAT1 P35610 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 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
SCHEMBL13732997 0.90 CYP4F2 (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL232993 0.83 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2048261 0.82 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11455507 0.79 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11140647 0.79 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10818981 0.79 TSHR (0.42) GAAALDH1A1PKMHSD17B10MAPT
SCHEMBL7668564 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10447420 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4996013 0.77 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28361671 0.77 GAA (0.36) GAAMGAMSIMGAM2ALDH1A1

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 14 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
CN-103717583-A Dibenzothiazepine derivatives and their use in the treatment of cns disorders NUMEDICUS LTD 2014-04-09 CN 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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-4701539-A 3,4-dihydro-4,4-dimethyl-2H-pyran-2-one, an insecticide intermediate FMC CORPORATION (US) 1987-10-20 US disclosed
US-4473701-A Lower alkyl 5-chloro-3,3-dimethyl-5-phenylthiopentanoates useful as insecticide intermediates FMC CORPORATION (US) 1984-09-25 US disclosed
US-4387233-A Derivatives of 2H-pyran-2-one FMC CORPORATION (US) 1983-06-07 US disclosed
US-4344884-A Process for producing cis-3-(2,2-disubstituted-ethenyl)-2,2-dimethylcyclopropanecarboxylic acid and intermediates FMC CORPORATION (US) 1982-08-17 US disclosed
US-4342694-A Processes for producing pyrethroid insecticide intermediates FMC CORPORATION (US) 1982-08-03 US disclosed
US-4235780-A Derivatives of 2H-pyran-2-one FMC CORPORATION (US) 1980-11-25 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 (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.