SCHEMBL3155159

SCHEMBL3155159

OC(Cc1ccccc1)[C@H]1O[C@H](O)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TRPA1 O75762 2/20 0.32
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALPI P09923 1/20 0.30
PKM P14618 1/20 0.30
PTGS1 P23219 1/20 0.30
XIAP P98170 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL31016265 1.00 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3163944 1.00 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3136547 1.00 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3145397 1.00 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL2045566 0.90 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL2045564 0.90 GRIN2D (0.31) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6637475 0.87 GRIN2D (0.32) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL11124714 0.84 GRIN2D (0.32) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL4024044 0.84 CYP1A2 (0.34) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL2583061 0.80 GRIN2B (0.34) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 EP disclosed
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2020-02-25 US disclosed
US-20180327377-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2018-11-15 US disclosed
US-10093645-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2018-10-09 US disclosed
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 EP disclosed
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-12-15 US disclosed
US-9475835-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl) cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2016-10-25 US disclosed
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-01-28 US disclosed
US-9221865-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2015-12-29 US disclosed
US-9187514-B2 2015-11-17 US disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 EP disclosed
US-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2015-06-04 US disclosed
WO-2010014814-A2 GLYCOSYLATED WARFARIN ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-02-04 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 (6 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-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B GRIN2D 2371/4885GRIN3B 3059/4885ADRA1D 1772/4885
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B GRIN2D 2371/4885GRIN3B 3059/4885ADRA1D 1772/4885
US-10093645-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B GRIN2D 2377/4885GRIN3B 3125/4885ADRA1D 1729/4885
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B GRIN2D 2377/4885GRIN3B 3125/4885ADRA1D 1729/4885
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B GRIN2D 2371/4885GRIN3B 3059/4885ADRA1D 1772/4885
US-20180327377-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B GRIN2D 2371/4885GRIN3B 3059/4885ADRA1D 1772/4885

“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.