SCHEMBL5357461

SCHEMBL5357461

CCOP(=O)(C=O)OCC.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARD Q03181 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.33
AOX1 Q06278 1/20 0.33
POLB P06746 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
SCHEMBL1396448 0.97 TSHR (0.50) TSHRTP53TDP1PPARDNPSR1
Benzene SCHEMBL25317681 0.90 NPSR1 (0.47) TSHRTP53TDP1PPARDNPSR1
SCHEMBL27939180 0.82 TSHR (0.39) TSHRTP53TDP1NPSR1AOX1
SCHEMBL7526044 0.79 TSHR (0.56) TSHRTP53TDP1PPARDNPSR1
SCHEMBL5015252 0.77 TSHR (0.53) TSHRTP53TDP1PPARDNPSR1
SCHEMBL28035543 0.76
SCHEMBL4456017 0.76 MEN1 (0.39) TSHRTP53TDP1CA12CA1
SCHEMBL6631037 0.74 TSHR (0.50) TSHRTP53TDP1PPARDNPSR1
Ammonia Solution, Strong SCHEMBL11747055 0.74
SCHEMBL17915493 0.72 TSHR (0.48) TSHRTP53TDP1PPARDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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 (1 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 TSHR 3795/4885TP53 4407/4885TDP1 472/4885

“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.