SCHEMBL4121585

SCHEMBL4121585

CCOc1cc(OCP(=O)(O)O)c2nc(N)sc2c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
FBP1 P09467 12/20 0.39
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.32
GAA P10253 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
SCHEMBL4127768 0.89 HTT (0.41) HTTFBP1KDM4EMAPTCYP3A4
SCHEMBL4137656 0.87 HTT (0.38) HTTFBP1ALDH1A1GAA
SCHEMBL14283764 0.86 HTT (0.46) HTTFBP1HSD17B10GAA
SCHEMBL4128422 0.84 HTT (0.41) HTTFBP1GAA
SCHEMBL4133011 0.84 HTT (0.41) HTTFBP1ALDH1A1GAA
SCHEMBL4133865 0.82 HTT (0.39) HTTFBP1HSD17B10MAPK1MAPT
SCHEMBL4129014 0.81 FBP1 (0.39) HTTFBP1HSD17B10GAA
SCHEMBL4135187 0.80 FBP1 (0.40) HTTFBP1HSD17B10GAA
SCHEMBL4129371 0.80 FBP1 (0.40) HTTFBP1HSD17B10GAA
SCHEMBL4137826 0.80 FBP1 (0.40) HTTFBP1HSD17B10ALDH1A1GAA

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 1/4885HSD17B10 1802/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 HTT 4308/4885FBP1 1/4885HSD17B10 2074/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 HTT 4308/4885FBP1 1/4885HSD17B10 2074/4885

“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.