SCHEMBL4129014

SCHEMBL4129014

CCc1c(C)cc(OCP(=O)(O)O)c2nc(N)sc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.39
HTT P42858 1/20 0.37
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
TLR7 Q9NYK1 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4132908 0.88 FBP1 (0.38) FBP1HTTTHRATHRBTLR7
SCHEMBL4142711 0.87 FBP1 (0.39) FBP1HTTHSD17B10GAA
SCHEMBL14283764 0.86 HTT (0.46) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4129371 0.84 FBP1 (0.40) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4135187 0.84 FBP1 (0.40) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4137826 0.84 FBP1 (0.40) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4129961 0.82 FBP1 (0.35) FBP1
SCHEMBL4121585 0.81 HTT (0.40) FBP1HTTHSD17B10GAA
SCHEMBL4129034 0.81 FBP1 (0.39) FBP1HTTTLR7GAA
SCHEMBL4134573 0.80 FBP1 (0.45) FBP1HTTHSD17B10GAASMN1; SMN2

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 FBP1 1/4885HTT 4353/4885THRA 1752/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885HTT 4308/4885THRA 1730/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885HTT 4308/4885THRA 1730/4885

“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.