SCHEMBL4133666

SCHEMBL4133666

COc1c(Br)cc(OCP(=O)(O)O)c2nc(N)sc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.39
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PTPN1 P18031 1/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4128422 0.86 HTT (0.41) FBP1PTPN1HTT
SCHEMBL4121084 0.83 FBP1 (0.40) FBP1PTPN1HTT
SCHEMBL4126139 0.83 FBP1 (0.40) FBP1PTPN1LMNAALDH1A1HTT
SCHEMBL4129085 0.83 FBP1 (0.35) FBP1
SCHEMBL4135187 0.81 FBP1 (0.40) FBP1PTPN1HTT
SCHEMBL4127768 0.81 HTT (0.41) FBP1MAPTHTTCYP3A4TDP1
SCHEMBL4141913 0.81 CYP3A4 (0.43) MAPTALDH1A1HTTTSHRAPOBEC3A
SCHEMBL14283764 0.78 HTT (0.46) FBP1HTT
SCHEMBL4133865 0.77 HTT (0.39) FBP1MAPTMAPK1HTT
SCHEMBL4134396 0.77 FBP1 (0.42) FBP1LMNAALDH1A1HTT

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 1/4885THRA 1752/4885THRB 1065/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885THRA 1730/4885THRB 842/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885THRA 1730/4885THRB 842/4885

“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.