SCHEMBL799524

SCHEMBL799524

CC(C)(C)OC(=O)CP(C)(C)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPRC P08575 2/20 0.30

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
SCHEMBL2198384 0.81 MEN1 (0.40) DGAT1CYP2D6HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL11682036 0.79 MEN1 (0.39) DGAT1CYP2D6HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL11682038 0.79 MEN1 (0.39) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL421908 0.77 DGAT1 (0.35) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL28160941 0.77 L3MBTL1 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL15438870 0.77 ELANE (0.37)
SCHEMBL805146 0.77 TSHR (0.34) CA12CA2L3MBTL1TDP1
Butane SCHEMBL97927 0.76 MEN1 (0.36) CYP2D6CA12CA14L3MBTL1TDP1
SCHEMBL3474238 0.76 CYP2D6 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL12861693 0.76 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8

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-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-9469623-B2 Preparation method for optically active bicyclic gamma-amino acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-18 US disclosed
US-9394235-B2 Optical resolution methods for bicyclic compounds using enzymes DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-07-19 US disclosed
US-20150218123-A1 Preparation Method for Optically Active Bicyclic Gamma-Amino Acid Compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-06 US disclosed
US-9035103-B2 Optical resolution methods for bicyclic compounds using asymmetric catalysts DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-05-19 US disclosed
US-20150038738-A1 Optical Resolution Methods for Bicyclic Compounds Using Enzymes DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-05 US disclosed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20140296569-A1 Optical Resolution Method for Bicyclic Compound Using Asymmetric Catalyst DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-10-02 US disclosed
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP 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 (7 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 DGAT1 4205/4885CYP2D6 1150/4885HDAC3 2239/4885
US-20140296569-A1 Optical Resolution Method for Bicyclic Compound Using Asymmetric Catalyst OXER1, OCIAD2, AOC2 DGAT1 160/4885CYP2D6 768/4885HDAC3 338/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 DGAT1 4033/4885CYP2D6 2562/4885HDAC3 944/4885
US-20150218123-A1 Preparation Method for Optically Active Bicyclic Gamma-Amino Acid Compound BCAT1, BCAT2, SLC7A1 DGAT1 3838/4885CYP2D6 1516/4885HDAC3 3872/4885
US-20150038738-A1 Optical Resolution Methods for Bicyclic Compounds Using Enzymes BLVRB, DCXR, CYP51A1 DGAT1 673/4885CYP2D6 222/4885HDAC3 509/4885
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof STAT6, STAT5B, STAT5A DGAT1 1677/4885CYP2D6 2890/4885HDAC3 282/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 DGAT1 4701/4885CYP2D6 321/4885HDAC3 3733/4885

“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.