SCHEMBL749253

SCHEMBL749253

O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 1.00
PTPN1 P18031 10/20 0.47
CDC25B P30305 8/20 0.47
PTPN2 P17706 5/20 0.46
PTPN11 Q06124 5/20 0.46
PTPN6 P29350 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BCHE P06276 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TACR2 P21452 2/20 0.43

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
SCHEMBL6313488 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6313490 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184231 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184232 1.00 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8928824 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9164604 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8928920 0.99 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418144 0.96 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418140 0.96 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL21749232 0.91 NT5E (0.84) NT5EPTPN1CDC25BPTPN2PTPN11

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-2430032-B1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MAN GMBH & CO KG (DE) 2016-02-17 EP disclosed
US-20120220762-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MANAGEMENT GMBH & CO. KG (DE) 2012-08-30 US disclosed
EP-2430032-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE Alcafleu Management GmbH & Co. KG (DE) 2012-03-21 EP disclosed
WO-2010130778-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MANAGEMENT GMBH & CO. KG (DE) 2010-11-18 WO disclosed
US-5747465-A Sugar derivatives of macrolides PFIZER INC. (US) 1998-05-05 US disclosed
EP-0629209-B1 SUGAR DERIVATIVES OF MACROLIDES PFIZER (US) 1997-05-14 EP disclosed
EP-0456817-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS INC (US) 1996-01-31 EP disclosed
US-5296589-A Dissolving in nonreactive solvent, reacting with hydrogen, palladium chloride, hydrochloric acid in sealed vessel at elevated pressure, removing palladium chloride, neutralizing, separating product ASH STEVENS, INC. (US) 1994-03-22 US disclosed
US-5110919-A Economical preparation of nucleosides ASH STEVENS, INC. (US) 1992-05-05 US disclosed
EP-0456817-A4 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES 1992-04-22 EP disclosed
EP-0456817-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES. ASH STEVENS INC (US) 1991-11-21 EP disclosed
WO-1991008215-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS, INC. (US) 1991-06-13 WO disclosed
US-4188378-A Anticancer and antiviral activity of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-12 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 (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-20120220762-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE CD38, FLAD1, GART NT5E 1122/4885PTPN1 4843/4885CDC25B 3269/4885

“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.