SCHEMBL9913733

SCHEMBL9913733

COC(=O)C[C@@](C)(O)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
TSHR P16473 4/20 0.40
HSD17B10 Q99714 2/20 0.37
TET2 Q6N021 1/20 0.35
RECQL P46063 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
DGAT1 O75907 1/20 0.32
CA12 O43570 2/20 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
SCHEMBL17301670 1.00 MGAM (0.48) MGAMGAASIMGAM2HMGCR
SCHEMBL7047649 0.91 HMGCR (0.50) MGAMGAASIMGAM2HMGCR
SCHEMBL7041938 0.83 HMGCR (0.58) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL15944462 0.82 HMGCR (0.68) MGAMGAASIMGAM2HMGCR
SCHEMBL17301671 0.80 HMGCR (0.41) MGAMGAASIMGAM2HMGCR
SCHEMBL11422035 0.80 HMGCR (0.41) MGAMGAASIMGAM2HMGCR
SCHEMBL18751330 0.79 TSHR (0.42) MGAMGAASIMGAM2HMGCR
SCHEMBL11026137 0.79 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL16580102 0.78 GAA (0.50) MGAMGAASIMGAM2HMGCR
SCHEMBL13059616 0.77 TSHR (0.40) MGAMGAASIMGAM2HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202758-A1 CORE 2GLCNAC-T INHIBITORS MS THERAPEUTICS LIMITED (GB) 2012-08-09 US disclosed
US-8197794-B2 Core 2 GlcNAc-T inhibitors MS THERAPEUTICS LIMITED (GB) 2012-06-12 US disclosed
US-7998943-B2 Treating a subject in need of therapy for a condition involving detrimental activity of the enzyme Core 2 GlcNAc-T(Core 2-N-acetylglucosaminyl transferase) comprising administration of a steroid compound inhibitor thereof; multiple sclerosis; antiinflammatory, anticarcinogenic agents BTG INTERNATIONAL LIMITED (GB) 2011-08-16 US disclosed
US-7998943-B2 Treating a subject in need of therapy for a condition involving detrimental activity of the enzyme Core 2 GlcNAc-T(Core 2-N-acetylglucosaminyl transferase) comprising administration of a steroid compound inhibitor thereof; multiple sclerosis; antiinflammatory, anticarcinogenic agents BTG INTERNATIONAL LIMITED (GB) 2011-08-16 US disclosed
US-20100256077-A1 Core 2GlcNAc-T inhibitors BTG INTERNATIONAL LIMITED (GB) 2010-10-07 US disclosed
US-20100048495-A1 Core 2 GlcNAc-T inhibitors III BTG INTERNATIONAL LIMITED (GB) 2010-02-25 US disclosed
US-20100048495-A1 Core 2 GlcNAc-T inhibitors III BTG INTERNATIONAL LIMITED (GB) 2010-02-25 US disclosed
US-20080182801-A1 Core 2 glcnac-t inhibitors BTG INTERNATIONAL LIMITED (GB) 2008-07-31 US disclosed
US-20070010462-A1 Core 2 GlcNAc-T inhibitors III BTG INTERNATIONAL LIMITED (GB) 2007-01-11 US disclosed
US-20070010462-A1 Core 2 GlcNAc-T inhibitors III BTG INTERNATIONAL LIMITED (GB) 2007-01-11 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 (5 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-20120202758-A1 CORE 2GLCNAC-T INHIBITORS CSGALNACT1, SACM1L, ENGASE MGAM 311/4885GAA 26/4885SI 191/4885
US-20100256077-A1 Core 2GlcNAc-T inhibitors CSGALNACT1, SACM1L, ENGASE MGAM 261/4885GAA 27/4885SI 183/4885
US-20100048495-A1 Core 2 GlcNAc-T inhibitors III CSGALNACT1, ENGASE, GALNT6 MGAM 177/4885GAA 24/4885SI 126/4885
US-20070010462-A1 Core 2 GlcNAc-T inhibitors III CSGALNACT1, ENGASE, GALNT6 MGAM 161/4885GAA 25/4885SI 127/4885
US-20080182801-A1 Core 2 glcnac-t inhibitors CSGALNACT1, ENGASE, GALNT6 MGAM 157/4885GAA 42/4885SI 156/4885

“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.