SCHEMBL1697170

SCHEMBL1697170

COc1ccc(C(OCC2CCC(n3cnc4c(=O)[nH]c(NC(=O)CCCCC(=O)O)nc43)O2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.43
ALDH1A1 P00352 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
POLA1 P09884 1/20 0.35
CYP1A2 P05177 1/20 0.34
PDE9A O76083 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
SCHEMBL16451656 0.94 TYMP (0.43) TYMPALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL16451657 0.90 TYMP (0.43) TYMPALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL17691242 0.89 TYMP (0.42) TYMPALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL19505895 0.88 TYMP (0.49) TYMPALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL15488821 0.87 TYMP (0.45) TYMPALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL19505749 0.87 TYMP (0.48) TYMPALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL21473339 0.86 TYMP (0.48) TYMPALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL13493900 0.86 TYMP (0.48) TYMPALDH1A1TAS1R3TAS1R1KDM4E
SCHEMBL13375800 0.85 TYMP (0.40) TYMPALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL15488822 0.84 TYMP (0.43) TYMPALDH1A1TAS1R3TAS1R1MEN1

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-20170305954-A1 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION Life Technologies Corporation (US) 2017-10-26 US disclosed
US-9732112-B2 Synthesis of 2′,3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization Life Technologies Corporation (US) 2017-08-15 US disclosed
US-20160108079-A1 Synthesis Of 2',3'-Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization Life Technologies Corporation 2016-04-21 US disclosed
US-9228227-B2 Synthesis of 2′, 3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization Life Technologies Corporation (US) 2016-01-05 US disclosed
EP-2576577-B1 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION LIFE TECHNOLOGIES CORP (US) 2015-03-18 EP disclosed
US-20150045547-A1 Synthesis Of 2' , 3' -Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization Life Technologies Corporation (US) 2015-02-12 US disclosed
US-8658776-B2 Synthesis of 2′,3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization Life Technologies Corporation (US) 2014-02-25 US disclosed
EP-2576577-A2 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION Life Technologies Corporation (US) 2013-04-10 EP disclosed
WO-2011150277-A2 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION Life Technologies Corporation (US) 2011-12-01 WO disclosed
US-20110294122-A1 Synthesis of 2', 3'-Dideoxynucleosides for Automated DNA Synthesis and Pyrophosphorolysis Activated Polymerization Life Technologies Corporation (US) 2011-12-01 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 (4 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-20170305954-A1 SYNTHESIS OF 2', 3'-DIDEOXYNUCLEOSIDES FOR AUTOMATED DNA SYNTHESIS AND PYROPHOSPHOROLYSIS ACTIVATED POLYMERIZATION DCTD, MTAP, RNGTT TYMP 10/4885ALDH1A1 3479/4885TAS1R3 3998/4885
US-20160108079-A1 Synthesis Of 2',3'-Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT TYMP 10/4885ALDH1A1 3479/4885TAS1R3 3998/4885
US-20110294122-A1 Synthesis of 2', 3'-Dideoxynucleosides for Automated DNA Synthesis and Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT TYMP 10/4885ALDH1A1 3479/4885TAS1R3 3998/4885
US-20150045547-A1 Synthesis Of 2' , 3' -Dideoxynucleosides For Automated DNA Synthesis And Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT TYMP 10/4885ALDH1A1 3479/4885TAS1R3 3998/4885

“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.