SCHEMBL1521256

SCHEMBL1521256

CCS[C@@H]1O[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
GJB2 P29033 2/20 0.37
HTR1A P08908 1/20 0.37
TACR2 P21452 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
DRD1 P21728 1/20 0.34

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
SCHEMBL19185914 0.85 BCHE (0.46) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL18483751 0.82 BCHE (0.50) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL22928168 0.80 PDE4D (0.41) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL7564019 0.79 BCHE (0.50) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL7570131 0.79 BCHE (0.50) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL7570125 0.79 BCHE (0.50) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL7564025 0.79 BCHE (0.50) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL1521594 0.79 PDE4D (0.46) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL1521596 0.79 PDE4D (0.46) BCHEACHESSTR1SSTR2SSTR4
SCHEMBL8762677 0.79 PDE4D (0.46) BCHEACHESSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906460-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER (US) 2011-03-15 US disclosed
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-08-02 US disclosed
US-7122359-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-17 US disclosed
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 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-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars PNP, NUDT14, ENTPD5 BCHE 272/4885ACHE 888/4885SSTR1 4745/4885
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS PNP, NUDT14, NUDT5 BCHE 319/4885ACHE 878/4885SSTR1 4736/4885

“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.