SCHEMBL4137656

SCHEMBL4137656

Cc1c(OCC(C)C)cc(OCP(=O)(O)O)c2nc(N)sc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
FBP1 P09467 10/20 0.38
XDH P47989 3/20 0.33
TARBP2 Q15633 2/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
PGR P06401 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
BLVRB P30043 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PPID Q08752 1/20 0.30

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
SCHEMBL4121585 0.87 HTT (0.40) HTTFBP1ALDH1A1GAA
SCHEMBL4127768 0.86 HTT (0.41) HTTFBP1HDAC6GAA
SCHEMBL14283764 0.86 HTT (0.46) HTTFBP1GAA
SCHEMBL4133011 0.81 HTT (0.41) HTTFBP1ALDH1A1GAA
SCHEMBL4128422 0.81 HTT (0.41) HTTFBP1GAA
SCHEMBL4133865 0.80 HTT (0.39) HTTFBP1GAA
SCHEMBL4135187 0.77 FBP1 (0.40) HTTFBP1GAA
SCHEMBL4137826 0.77 FBP1 (0.40) HTTFBP1HDAC6ALDH1A1GAA
SCHEMBL4129371 0.77 FBP1 (0.40) HTTFBP1GAA
SCHEMBL4129014 0.76 FBP1 (0.39) HTTFBP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 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 (3 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 HTT 4353/4885FBP1 1/4885XDH 1300/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 HTT 4308/4885FBP1 1/4885XDH 1134/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 HTT 4308/4885FBP1 1/4885XDH 1134/4885

“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.