SCHEMBL1521205

SCHEMBL1521205

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.47
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
SSTR3 P32745 1/20 0.47
SSTR5 P35346 1/20 0.47
HTR1A P08908 1/20 0.47
TACR2 P21452 3/20 0.46
NT5E P21589 1/20 0.43
PTPN1 P18031 8/20 0.43
CDC25B P30305 6/20 0.43
PTPN2 P17706 3/20 0.43
PTPN11 Q06124 3/20 0.43
PTPN6 P29350 2/20 0.42
GJB2 P29033 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL6892339 1.00 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12083220 1.00 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1521538 1.00 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1764142 0.92 SSTR4 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4906226 0.92 SSTR4 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14672596 0.90 SSTR4 (0.53) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19272019 0.90 HTR1A (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL4616594 0.89 HTR1A (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19276601 0.89 SSTR4 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19276600 0.89 SSTR4 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5

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 5 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
WO-2002048331-A2 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLTRANSFERASES AND ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND 'UNNATURAL' UDP- AND NUCLEOTIDE SUGARS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2002-06-20 WO 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 SSTR1 4745/4885SSTR2 4834/4885SSTR4 4784/4885
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 SSTR1 4736/4885SSTR2 4824/4885SSTR4 4764/4885

“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.