SCHEMBL1359575

SCHEMBL1359575

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
TRPA1 O75762 2/20 0.31
CYP1A2 P05177 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
SCHEMBL16147911 0.78 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL11113985 0.76 HTT (0.32) TRPA1
SCHEMBL3145397 0.74 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL28134606 0.74 TSHR (0.33) GRIN2BTRPA1
SCHEMBL28134604 0.74 TSHR (0.33) GRIN2BTRPA1
SCHEMBL3155159 0.74 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL31016265 0.74 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3136547 0.74 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3163944 0.74 GRIN2D (0.33) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6637475 0.73 GRIN2D (0.32) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035306-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES GENZYME CORPORATION (US) 2013-02-07 US disclosed
US-20110282045-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES GENZYME CORPORATION 2011-11-17 US disclosed
US-7947824-B2 Process for preparing purine nucleosides GENZYME CORPORATION (US) 2011-05-24 US disclosed
US-20090286971-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES GENZYME CORPORATION 2009-11-19 US disclosed
US-7528247-B2 Process for preparing purine nucleosides GENZYME CORPORATION (US) 2009-05-05 US disclosed
EP-1412369-B1 PROCESS FOR PREPARING PURINE NUCLEOSIDES ILEX ONCOLOGY INC (US) 2008-05-07 EP disclosed
US-20050033043-A1 Reacting a blocked 2-deoxy-alpha-D-arabinofuranosyl halide with the potassium salt of an adenine derivative to form 2-deoxy-beta-D-adenine nucleosides stereoselectively; use making antiviral or anticancer agents GENZYME CORPORATION 2005-02-10 US disclosed
EP-1412369-A2 PROCESS FOR PREPARING PURINE NUCLEOSIDES Ilex Oncology, Inc. (US) 2004-04-28 EP disclosed
US-6680382-B2 COUPLING ADENINE DERIVATIVE WITH BLOCKED ARABINOFURANOSYL DERIVATIVE TO FORM 2-CHLORO-9-(2'-DEOXY-2'-FLUORO-B-ARABINOFURANOSYL)ADENINE; ANTICANCER AGENTS; VIRICIDES ILEX PRODUCTS, INC. 2004-01-20 US disclosed
US-20030114663-A1 Process for preparing purine nucleosides GENZYME CORPORATION 2003-06-19 US disclosed
WO-2003011877-A2 PROCESS FOR PREPARING PURINE NUCLEOSIDES ILEX ONCOLOGY INC. (US) 2003-02-13 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 (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-20050033043-A1 Reacting a blocked 2-deoxy-alpha-D-arabinofuranosyl halide with the potassium salt of an adenine derivative to form 2-deoxy-beta-D-adenine nucleosides stereoselectively; use making antiviral or anticancer agents SAMHD1, DCTD, DUT GRIN2D 1134/4885GRIN3B 2316/4885ADRA1D 604/4885
US-20130035306-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES SAMHD1, APRT, DCTD GRIN2D 2952/4885GRIN3B 3596/4885ADRA1D 1581/4885
US-20030114663-A1 Process for preparing purine nucleosides SAMHD1, APRT, NUDT1 GRIN2D 3136/4885GRIN3B 3413/4885ADRA1D 2845/4885
US-20110282045-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES PNP, SAMHD1, NUDT1 GRIN2D 1925/4885GRIN3B 3131/4885ADRA1D 1044/4885
US-20090286971-A1 PROCESS FOR PREPARING PURINE NUCLEOSIDES PNP, SAMHD1, NUDT1 GRIN2D 1925/4885GRIN3B 3131/4885ADRA1D 1044/4885

“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.