SCHEMBL701499

SCHEMBL701499

CC(C)CC[CH]P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ANPEP P15144 3/20 0.34
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
CA1 P00915 2/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL700495 0.84 LMNA (0.37) ALDH1A1TDP1FDPS
SCHEMBL700293 0.74
SCHEMBL29260835 0.73 METAP1 (0.39) METAP1LAP3FDPS
SCHEMBL103934 0.70
Phosphoric Acid SCHEMBL14953332 0.69 TSHR (0.32) ALDH1A1ANPEPLAP3ERAP1
Phosphoric Acid SCHEMBL16541047 0.65 TSHR (0.39) ALDH1A1TDP1FDPS
SCHEMBL701768 0.65
SCHEMBL336108 0.65 TYMS (0.45) ALDH1A1ANPEPTDP1
3-Methylbutanol SCHEMBL4718917 0.65 ALDH1A1 (0.41) METAP1ALDH1A1ANPEPLAP3ERAP1
SCHEMBL11203643 0.65

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
EP-2252584-B1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME INC (US) 2016-12-07 EP disclosed
US-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed
US-20120107942-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2012-05-03 US disclosed
US-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed
EP-2252584-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS Prozyme, Inc. (US) 2010-11-24 EP disclosed
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-10-15 US disclosed
WO-2009100155-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-08-13 WO disclosed
WO-2009046165-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 WO disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 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 (2 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-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS B3GNT2, FUT5, FUT6 METAP1 3797/4885ALDH1A1 2931/4885ANPEP 125/4885
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 METAP1 4180/4885ALDH1A1 4277/4885ANPEP 363/4885

“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.