SCHEMBL4954130

SCHEMBL4954130

NC(=O)c1ncn([C@@H]2O[C@H](C(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.48
FBP1 P09467 2/20 0.48
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
IMPDH2 P12268 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNK O75909 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL4307801 0.88 KDM4E (0.56) ATICFBP1KDM4ESMN1; SMN2TDP1
SCHEMBL11751613 0.82 ATIC (0.46) ATICFBP1KDM4ESMN1; SMN2TDP1
SCHEMBL6314596 0.81 FBP1 (0.51) ATICFBP1KDM4ESMN1; SMN2TDP1
SCHEMBL13741962 0.77 ATIC (0.78) ATICFBP1KDM4ESMN1; SMN2TDP1
SCHEMBL28773388 0.76 ATIC (0.47) ATICFBP1KDM4ESMN1; SMN2TDP1
SCHEMBL756245 0.74 P2RY2 (0.64) FBP1SMN1; SMN2ALDH1A1BLMTSHR
SCHEMBL938225 0.73 ATIC (0.60) ATICFBP1KDM4ESMN1; SMN2TDP1
SCHEMBL11527541 0.73 NT5E (0.59) FBP1SMN1; SMN2DNPH1PRKAB2TRPM2
SCHEMBL11130784 0.73 SMN1; SMN2 (0.51) FBP1SMN1; SMN2DNPH1PRKAB2TRPM2
Water SCHEMBL443839 0.73 P2RY2 (0.63) FBP1SMN1; SMN2ALDH1A1BLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ATIC 644/4885FBP1 2604/4885KDM4E 3546/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK ATIC 459/4885FBP1 1659/4885KDM4E 2762/4885

“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.