SCHEMBL4124569

SCHEMBL4124569

N#CSc1cc(OCP(=O)(O)O)c2nc(N)sc2c1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.38
ADORA1 P30542 9/20 0.34
KDM4E B2RXH2 5/20 0.33
MAPT P10636 4/20 0.33
ADORA3 P0DMS8 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
PHGDH O43175 1/20 0.33
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ADORA2A P29274 4/20 0.32
LMNA P02545 1/20 0.32
ADORA2B P29275 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 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 0.86 FBP1 (0.40) FBP1ALDH1A1HPGDADORA2A
SCHEMBL4138581 0.83 FBP1 (0.38) FBP1ADORA1KDM4EMAPTADORA3
SCHEMBL4893473 0.80 FBP1 (0.36) FBP1ALDH1A1LMNAUSP2
SCHEMBL4120720 0.80 FBP1 (0.37) FBP1USP2
SCHEMBL4123475 0.79 FBP1 (0.36) FBP1USP2
SCHEMBL4129085 0.78 FBP1 (0.35) FBP1
SCHEMBL4129961 0.78 FBP1 (0.35) FBP1
SCHEMBL4133694 0.77 FBP1 (0.38) FBP1
SCHEMBL4135222 0.77 FBP1 (0.36) FBP1
Bromide SCHEMBL4134443 0.76 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 1/4885ADORA1 917/4885KDM4E 3557/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885ADORA1 1649/4885KDM4E 3266/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885ADORA1 1649/4885KDM4E 3266/4885

“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.