SCHEMBL4123348

SCHEMBL4123348

CCCCCCc1c(SC#N)cc(OCP(=O)(O)O)c2nc(N)sc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.34
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL4123475 0.86 FBP1 (0.36) FBP1MYCWDR5
SCHEMBL4132908 0.85 FBP1 (0.38) FBP1S1PR2S1PR1S1PR3LPAR2
SCHEMBL4129085 0.81 FBP1 (0.35) FBP1MYCWDR5
SCHEMBL4135222 0.77 FBP1 (0.36) FBP1
SCHEMBL4134607 0.77 FBP1 (0.40) FBP1MYCWDR5
Bromide SCHEMBL4134443 0.77 FBP1 (0.36) FBP1
Bromide SCHEMBL4134438 0.76 FBP1 (0.35) FBP1
SCHEMBL4129014 0.75 FBP1 (0.39) FBP1
SCHEMBL4138581 0.74 FBP1 (0.38) FBP1
SCHEMBL4124569 0.74 FBP1 (0.38) FBP1

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 1/4885MYC 1924/4885WDR5 2908/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885MYC 1594/4885WDR5 2418/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885MYC 1594/4885WDR5 2418/4885

“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.