SCHEMBL4137826

SCHEMBL4137826

Cc1cc(OCP(=O)(O)O)c2nc(N)sc2c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.40
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TLR7 Q9NYK1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL14283764 0.88 HTT (0.46) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4129034 0.87 FBP1 (0.39) FBP1HTTALDH1A1LMNATLR7
SCHEMBL4126139 0.85 FBP1 (0.40) FBP1HTTALDH1A1LMNAGAA
SCHEMBL4129371 0.85 FBP1 (0.40) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4135187 0.85 FBP1 (0.40) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4129014 0.84 FBP1 (0.39) FBP1HTTTLR7HSD17B10GAA
SCHEMBL4134573 0.81 FBP1 (0.45) FBP1HTTALDH1A1LMNAHSD17B10
SCHEMBL4127768 0.81 HTT (0.41) FBP1HTTHDAC3HDAC4HDAC1
SCHEMBL4128422 0.81 HTT (0.41) FBP1HTTTLR7GAA
SCHEMBL4133011 0.81 HTT (0.41) FBP1HTTALDH1A1TLR7GAA

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 4353/4885ALDH1A1 852/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885HTT 4308/4885ALDH1A1 1609/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885HTT 4308/4885ALDH1A1 1609/4885

“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.