SCHEMBL3312582

SCHEMBL3312582

O=C(OC[C@H]1O[C@](O)(Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS3 P17931 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
PTPN1 P18031 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1824001 1.00 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL29097448 1.00 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL1824002 1.00 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL5004973 1.00 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL9137960 0.86 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL11073044 0.86 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8512702 0.86 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8512700 0.86 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL4962623 0.85 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL652994 0.85 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1

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-20050288500-A1 Methods for synthesizing 2-chloro-9-(2-deoxy-2-fluoro-B-D-arabinofuranosyl)-9H-purin-6-amine SOUTHERN RESEARCH INSTITUTE (US) 2005-12-29 US claimed
US-6949640-B2 Method for synthesizing 2-chloro-9-(2-fluoro-β-D-arabinofuranosyl)-9H-purin-6-amine SOUTHERN RESEARCH INSTITUTE (US) 2005-09-27 US claimed
EP-1261350-A4 METHODS FOR SYNTHESIZING 2-CHLORO-9-(2-DEOXY-2-FLUORO-$g(b)-D-ARABINOFURANOSYL)- i 9H /i -PURIN-6-AMINE SOUTHERN RES INST (US) 2003-04-16 EP claimed
US-20030023078-A1 Method for synthesizing 2-chloro-9-(2-fluoro-beta-d-arabinofuranosyl)-9h-purin-6-amine SOUTHERN RESEARCH INSTITUTE 2003-01-30 US claimed
EP-1261350-A1 METHODS FOR SYNTHESIZING 2-CHLORO-9-(2-DEOXY-2-FLUORO-$g(b)-D-ARABINOFURANOSYL)- i 9H /i -PURIN-6-AMINE Southern Research Institute (US) 2002-12-04 EP claimed
WO-2001060383-A1 METHODS FOR SYNTHESIZING 2-CHLORO-9-(2-DEOXY-2-FLUORO-β-D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE SOUTHERN RESEARCH INSTITUTE (US) 2001-08-23 WO claimed
EP-0428109-A2 Deoxyfluoronucleoside process Bristol-Myers Squibb Company (US) 1991-05-22 EP claimed
US-8394935-B2 Method for producing furanose derivative API CORPORATION (JP) 2013-03-12 US disclosed
US-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE API CORPORATION (JP) 2010-04-29 US disclosed
EP-2105445-A1 METHOD FOR PRODUCTION OF FURANOSE DERIVATIVE API Corporation (JP) 2009-09-30 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 (1 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-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE DERA, ALDOA, DPYD MAPT 4811/4885ALDH1A1 127/4885POLB 2130/4885

“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.