SCHEMBL3363495

SCHEMBL3363495

O=c1nc(NC2O[C@H](CO)[C@@H](O)[C@@H]2O)c(F)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
ADK P55263 1/20 0.44
TSHR P16473 1/20 0.41
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
AKR1B1 P15121 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRK6 P43250 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
SCHEMBL3718127 1.00 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL4286250 1.00 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL11198199 1.00 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL6889028 1.00 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL5697577 1.00 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL8540328 0.99 GSK3B (0.49) GSK3BADKTSHRCA1CA2
SCHEMBL6882003 0.89 GSK3B (0.38) GSK3BADKTSHRCA1CA2
SCHEMBL5697584 0.86 GSK3B (0.49) GSK3BADKTSHRCA1CA2
SCHEMBL6882333 0.86 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL6887317 0.86 GSK3B (0.49) GSK3BADKTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070859-A1 Compounds resistant to metabolic deactivation and methods of use KANE ROBERT R 2008-03-20 US claimed
US-20060122144-A1 Compounds resistant to metabolic deactivation and methods of use KANE ROBERT R 2006-06-08 US claimed
EP-1581547-A2 COMPOUNDS RESISTANT TO METABOLIC DEACTIVATION AND METHODS OF USE BAYLOR UNIVERSITY (US) 2005-10-05 EP claimed
WO-2004050678-A2 COMPOUNDS RESISTANT TO METABOLIC DEACTIVATION AND METHODS OF USE BAYLOR UNIVERSITY (US) 2004-06-17 WO claimed
EP-0350287-B1 Lipid derivatives of antiviral nucleosides, liposomal incorporation and method of use CHIMERIX INC (US) 2000-09-27 EP claimed
JP-62099393-A None JP disclosed
JP-63083094-A None JP disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed
US-20080070859-A1 Compounds resistant to metabolic deactivation and methods of use KANE ROBERT R 2008-03-20 US disclosed
EP-1812456-A2 ß-L-N4-HYDROXYCYTOSINE DEOXYNUCLEOSIDES AND THEIR USE AS PHARMACEUTICAL AGENTS IN THE PROPHYLAXIS OR THERAPY OF VIRAL DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2007-08-01 EP disclosed
US-20060122144-A1 Compounds resistant to metabolic deactivation and methods of use KANE ROBERT R 2006-06-08 US disclosed
WO-2006045616-A2 β-L-N4-HYDROXYCYTOSINE DEOXYNUCLEOSIDES AND THEIR USE AS PHARMACEUTICAL AGENTS IN THE PROPHYLAXIS OR THERAPY OF VIRAL DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2006-05-04 WO disclosed
EP-1581547-A2 COMPOUNDS RESISTANT TO METABOLIC DEACTIVATION AND METHODS OF USE BAYLOR UNIVERSITY (US) 2005-10-05 EP disclosed
WO-2004050678-A2 COMPOUNDS RESISTANT TO METABOLIC DEACTIVATION AND METHODS OF USE BAYLOR UNIVERSITY (US) 2004-06-17 WO disclosed
EP-0350287-B1 Lipid derivatives of antiviral nucleosides, liposomal incorporation and method of use CHIMERIX INC (US) 2000-09-27 EP disclosed
US-5051499-A Phosphatides as antitumor agents TOYO JOZO KABUSHIKI KAISHA (JP) 1991-09-24 US disclosed
US-4921951-A WATER SOLUBILITY, ANTITUMOR AGENTS TOYO JOZO KABUSHIKI KAISHA (JP) 1990-05-01 US disclosed
US-4797479-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-01-10 US disclosed
JP-S6383094-A ETHER-TYPE NUCLEOSIDE-PHOSPHOLIPID COMPLEX TOYO JOZO CO LTD 1988-04-13 JP disclosed
JP-S6299393-A NOVEL ARABINONUCLEOSIDE PHOSPHOLIPID COMPLEX TOYO JOZO CO LTD 1987-05-08 JP 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 (2 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-20080070859-A1 Compounds resistant to metabolic deactivation and methods of use NAT1, NNMT, PNP GSK3B 3508/4885ADK 189/4885TSHR 2330/4885
US-20060122144-A1 Compounds resistant to metabolic deactivation and methods of use NAT1, NNMT, PNP GSK3B 3508/4885ADK 189/4885TSHR 2330/4885

“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.