SCHEMBL4132908

SCHEMBL4132908

CCCCCCc1c(C)cc(OCP(=O)(O)O)c2nc(N)sc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.38
HTT P42858 1/20 0.34
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR2 O95136 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
ENPP2 Q13822 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 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
SCHEMBL4129014 0.88 FBP1 (0.39) FBP1HTTTLR7THRATHRB
SCHEMBL4123348 0.85 FBP1 (0.34) FBP1S1PR1S1PR3S1PR2LPAR2
SCHEMBL14283764 0.82 HTT (0.46) FBP1HTTTLR7
SCHEMBL4135187 0.80 FBP1 (0.40) FBP1HTTTLR7
SCHEMBL4129371 0.80 FBP1 (0.40) FBP1HTTTLR7
SCHEMBL4137826 0.80 FBP1 (0.40) FBP1HTTTLR7
SCHEMBL15485928 0.74 ALDH1A1 (0.47) HTTTLR7
SCHEMBL4129034 0.74 FBP1 (0.39) FBP1HTTTLR7
SCHEMBL4134396 0.73 FBP1 (0.42) FBP1HTT
SCHEMBL4140328 0.72 FBP1 (0.44) FBP1TLR7

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 4353/4885S1PR1 1119/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885HTT 4308/4885S1PR1 1414/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885HTT 4308/4885S1PR1 1414/4885

“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.