SCHEMBL2108262

SCHEMBL2108262

N#CCCOCO[C@@H]1[C@H](O)[C@@H](COC(=O)COc2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
PNP P00491 1/20 0.47
KRAS P01116 6/20 0.47
NT5E P21589 1/20 0.44
TGM2 P21980 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL15841335 0.99 HINT1 (0.52) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL7915394 0.84 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL20215732 0.80 TAS1R3 (0.43) HINT1TAS1R3TAS1R1
SCHEMBL15850633 0.80 TAS1R3 (0.43) HINT1TAS1R3TAS1R1
SCHEMBL14727516 0.80 TAS1R3 (0.43) HINT1TAS1R3TAS1R1
SCHEMBL19981038 0.80 TAS1R3 (0.43) HINT1TAS1R3TAS1R1
SCHEMBL13009985 0.80 HINT1 (0.56) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL17853311 0.80 TAS1R3 (0.44) HINT1TAS1R3TAS1R1NT5ETAAR1
SCHEMBL15892169 0.80 TAS1R3 (0.44) HINT1TAS1R3TAS1R1NT5ETAAR1
SCHEMBL2106148 0.79 TYMP (0.42) HINT1TAS1R3TAS1R1GSK3ARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995253-B1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID NIPPON SHINYAKU CO LTD (JP) 2016-12-21 EP disclosed
EP-2053054-B1 METHOD FOR INTRODUCING NUCLEIC-ACID-PROTECTING GROUP NIPPON SHINYAKU CO LTD (JP) 2014-12-17 EP disclosed
EP-1795536-B1 PHOSPHORAMIDITE COMPOUND AND METHOD FOR PRODUCING OLIGO-RNA NIPPON SHINYAKU CO LTD (JP) 2012-05-02 EP disclosed
US-8158774-B2 Method for introducing a nucleic-acid protecting group NIPPON SHINYAKU CO., LTD. (JP) 2012-04-17 US disclosed
US-8158775-B2 Method for detaching protecting group on nucleic acid NIPPON SHINYAKU CO., LTD. (JP) 2012-04-17 US disclosed
US-20090312534-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP NIPPON SHINYAKU CO., LTD. (JP) 2009-12-17 US disclosed
US-20090286970-A1 METHOD FOR INTRODUCING A NUCLEIC-ACID PROTECTING GROUP NIPPON SHINYAKU CO., LTD. (JP) 2009-11-19 US disclosed
US-20090149645-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID NIPPON SHINYAKU CO., LTD. (JP) 2009-06-11 US disclosed
US-20090137790-A1 METHOD OF CAPPING OLIGONUCLEIC ACID NIPPON SHINYAKU CO., LTD. (JP) 2009-05-28 US disclosed
EP-2053054-A1 METHOD FOR INTRODUCING NUCLEIC-ACID-PROTECTING GROUP Nippon Shinyaku Co., Ltd. (JP) 2009-04-29 EP disclosed
EP-2017282-A1 METHOD OF CAPPING OLIGONUCLEIC ACID Nippon Shinyaku Co., Ltd. (JP) 2009-01-21 EP disclosed
EP-1995252-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP Nippon Shinyaku Co., Ltd. (JP) 2008-11-26 EP disclosed
EP-1995253-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID Nippon Shinyaku Co., Ltd. (JP) 2008-11-26 EP disclosed
US-20070282097-A1 Phosphoramidite Compound And Method For Producing Oligo-Rna NIPPON SHINYAKU CO., LTD. (JP) 2007-12-06 US disclosed
EP-1795536-A1 PHOSPHORAMIDITE COMPOUND AND METHOD FOR PRODUCING OLIGO-RNA Nippon Shinyaku Co., Ltd. (JP) 2007-06-13 EP 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 (5 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-20090312534-A1 METHOD FOR REMOVAL OF NUCLEIC ACID-PROTECTING GROUP NSUN2, RNASEH1, RNASE1 HINT1 499/4885TAS1R3 3036/4885TAS1R1 2551/4885
US-20090137790-A1 METHOD OF CAPPING OLIGONUCLEIC ACID RNGTT, DUT, ADAR HINT1 554/4885TAS1R3 4816/4885TAS1R1 4860/4885
US-20070282097-A1 Phosphoramidite Compound And Method For Producing Oligo-Rna NSUN2, NSUN3, XRN2 HINT1 309/4885TAS1R3 2238/4885TAS1R1 2039/4885
US-20090286970-A1 METHOD FOR INTRODUCING A NUCLEIC-ACID PROTECTING GROUP RNASEH1, SNRPB2, SNRPA1 HINT1 403/4885TAS1R3 2278/4885TAS1R1 1715/4885
US-20090149645-A1 METHOD FOR DETACHING PROTECTING GROUP ON NUCLEIC ACID DNASE1, DNASE1L3, NSUN2 HINT1 1590/4885TAS1R3 3167/4885TAS1R1 4174/4885

“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.