SCHEMBL9907217

SCHEMBL9907217

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

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.79
CHRM1 P11229 1/20 0.79
TBXA2R P21731 1/20 0.79
ADRA1A P35348 1/20 0.79
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CPT2 P23786 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.38
SLC15A2 Q16348 1/20 0.38
ACLY P53396 3/20 0.34
TET2 Q6N021 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
SCHEMBL16005836 1.00 HMGCR (0.79) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL8718194 0.89 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL28443 0.89 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL7041938 0.89 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL31372614 0.79 HMGCR (0.79) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL14665978 0.77 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL17227383 0.77 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL15693959 0.77 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL16882363 0.77 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL126376 0.77 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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 16 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-20120142620-A1 CORE 2 GLCNAC-T INHIBITORS BTG INTERNATIONAL LIMITED (GB) 2012-06-07 US disclosed
US-20120142620-A1 CORE 2 GLCNAC-T INHIBITORS BTG INTERNATIONAL LIMITED (GB) 2012-06-07 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-20100048496-A1 Core 2 GlcNAc-T inhibitors BTG INTERNATIONAL LIMITED (GB) 2010-02-25 US disclosed
US-20100048496-A1 Core 2 GlcNAc-T inhibitors 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-20070010461-A1 Core 2 GlcNAc-T inhibitors BTG INTERNATIONAL LIMITED (GB) 2007-01-11 US disclosed
US-20070010461-A1 Core 2 GlcNAc-T inhibitors 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
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 (8 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 HMGCR 1548/4885CHRM1 949/4885TBXA2R 4205/4885
US-20100256077-A1 Core 2GlcNAc-T inhibitors CSGALNACT1, SACM1L, ENGASE HMGCR 1503/4885CHRM1 916/4885TBXA2R 4188/4885
US-20120142620-A1 CORE 2 GLCNAC-T INHIBITORS MAN2A1, CSGALNACT1, MAN2B1 HMGCR 1223/4885CHRM1 1980/4885TBXA2R 2278/4885
US-20100048496-A1 Core 2 GlcNAc-T inhibitors MAN2A1, CSGALNACT1, MAN2B1 HMGCR 1223/4885CHRM1 1980/4885TBXA2R 2278/4885
US-20070010461-A1 Core 2 GlcNAc-T inhibitors MAN2A1, CSGALNACT1, MAN2B1 HMGCR 1223/4885CHRM1 1980/4885TBXA2R 2278/4885
US-20100048495-A1 Core 2 GlcNAc-T inhibitors III CSGALNACT1, ENGASE, GALNT6 HMGCR 1523/4885CHRM1 1903/4885TBXA2R 3790/4885
US-20070010462-A1 Core 2 GlcNAc-T inhibitors III CSGALNACT1, ENGASE, GALNT6 HMGCR 1483/4885CHRM1 1883/4885TBXA2R 3778/4885
US-20080182801-A1 Core 2 glcnac-t inhibitors CSGALNACT1, ENGASE, GALNT6 HMGCR 1671/4885CHRM1 1656/4885TBXA2R 3928/4885

“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.