SCHEMBL4134264

SCHEMBL4134264

COc1cc(OCP(=O)(O)O)c2nc(N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.35
NSD1 Q96L73 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4139303 0.85 HSD17B10 (0.50) FBP1MAPTCYP3A4TDP1ALDH1A1
SCHEMBL4128702 0.82 NPC1 (0.42) FBP1MAPTCYP3A4TDP1CYP2C19
SCHEMBL4138689 0.82 ALDH1A1 (0.50) FBP1MAPTCYP3A4TDP1ALDH1A1
SCHEMBL4123151 0.82 NSD1 (0.51) FBP1MAPTCYP3A4TDP1CYP2C19
SCHEMBL4140328 0.81 FBP1 (0.44) FBP1MAPTCYP3A4TDP1CYP2C19
SCHEMBL4124630 0.80 CYP2C19 (0.41) FBP1MAPTCYP2C19ALDH1A1LMNA
SCHEMBL9722840 0.79 CYP3A4 (0.58) MAPTCYP3A4TDP1CYP1A2CYP2C19
SCHEMBL4127768 0.77 HTT (0.41) FBP1MAPTCYP3A4TDP1
SCHEMBL4289343 0.76 TDP1 (0.56) FBP1MAPTCYP3A4TDP1ALDH1A1
SCHEMBL30189770 0.75 CYP3A4 (0.60) CYP3A4TDP1CYP1A2CYP2C19ALDH1A1

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 1/4885MAPT 2026/4885CYP3A4 1052/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 FBP1 1/4885MAPT 1651/4885CYP3A4 1082/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 FBP1 1/4885MAPT 1651/4885CYP3A4 1082/4885

“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.