SCHEMBL4138581

SCHEMBL4138581

N#CSc1cc(OCP(=O)(O)O)c2nc(N)sc2c1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.38
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
ADORA1 P30542 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
ADORA2B P29275 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
ADORA2A P29274 2/20 0.32
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
PIM1 P11309 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
SCHEMBL4134607 0.87 FBP1 (0.40) FBP1ALDH1A1HTTADORA2AGAA
SCHEMBL4124569 0.83 FBP1 (0.38) FBP1ALDH1A1MAPTADORA1MEN1
SCHEMBL4893473 0.81 FBP1 (0.36) FBP1ALDH1A1LMNA
SCHEMBL4120720 0.81 FBP1 (0.37) FBP1
SCHEMBL4123475 0.80 FBP1 (0.36) FBP1
SCHEMBL4129961 0.79 FBP1 (0.35) FBP1
SCHEMBL4129085 0.79 FBP1 (0.35) FBP1
SCHEMBL4133694 0.77 FBP1 (0.38) FBP1
SCHEMBL4135222 0.77 FBP1 (0.36) FBP1
Bromide SCHEMBL4134443 0.77 FBP1 (0.36) 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 1/4885ALDH1A1 852/4885MAPT 2026/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885ALDH1A1 1609/4885MAPT 1651/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885ALDH1A1 1609/4885MAPT 1651/4885

“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.