SCHEMBL6493288

SCHEMBL6493288

CCCOC(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL6483365 0.89 CYP3A4 (0.39) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL2637224 0.86 POLB (0.42) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL6496046 0.86 LPAR3 (0.44) TSHR
SCHEMBL7644205 0.84 CYP3A4 (0.35) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL3633847 0.79 POLB (0.42) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL6492056 0.76 POLB (0.46) POLBGAALMNATSHRMAPK1
SCHEMBL2976621 0.76 POLB (0.40) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL5550657 0.76 POLB (0.40) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL4283885 0.75 LMNA (0.45) POLBCYP3A4CYP2C9CYP2C19GAA
SCHEMBL6483396 0.75 POLB (0.44) POLBGAALMNATSHRMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962912-B2 Substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them WARNER-LAMBERT LLC (US) 2005-11-08 US disclosed
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
EP-1248787-B1 NOVEL SUBTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM WARNER LAMBERT CO (US) 2004-10-06 EP disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-20030171364-A1 Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them BURNOUF CATHERINE (FR) 2003-09-11 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO 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 (2 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-20030171364-A1 Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them CYP3A5, THPO, CYP3A4 POLB 4083/4885CYP3A4 3/4885CYP2C9 18/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD POLB 886/4885CYP3A4 540/4885CYP2C9 725/4885

“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.