SCHEMBL4955833

SCHEMBL4955833

CC(C)(C)Cn1c(-c2ccoc2P(=O)(O)O)nc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 15/20 0.65
ADORA3 P0DMS8 5/20 0.44
ADORA2A P29274 5/20 0.44
ADORA2B P29275 5/20 0.44
ADORA1 P30542 5/20 0.44
TMIGD3 P0DMS9 1/20 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
SCHEMBL8029644 0.82 FBP1 (0.43) FBP1
SCHEMBL13741964 0.78 FBP1 (1.00) FBP1
SCHEMBL8029637 0.75 FBP1 (0.40) FBP1
SCHEMBL4956393 0.74 FBP1 (0.36) FBP1
SCHEMBL5363823 0.71 FBP1 (0.51) FBP1ADORA3ADORA2AADORA2BADORA1
SCHEMBL14237111 0.70 FBP1 (0.61) FBP1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5368090 0.70 FBP1 (0.54) FBP1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5368083 0.68 FBP1 (0.65) FBP1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8051443 0.66 FBP1 (0.67) FBP1
SCHEMBL7208139 0.66 FBP1 (0.54) FBP1

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
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO claimed
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US disclosed
US-6946115-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US disclosed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 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 (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-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 FBP1 2604/4885ADORA3 118/4885ADORA2A 320/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK FBP1 1659/4885ADORA3 303/4885ADORA2A 585/4885

“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.