SCHEMBL307747

SCHEMBL307747

O=C(OC[C@H]1O[C@@H](n2c(=O)[nH]c3nc[nH]c3c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GAPDH P04406 2/20 0.44
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HRAS P01112 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL10118025 0.86 MEN1 (0.59) MEN1USP2POLBKMT2ACA1
SCHEMBL309414 0.81 MEN1 (0.54) MEN1USP2POLBKMT2ACA1
SCHEMBL308528 0.81 MEN1 (0.61) MEN1USP2POLBKMT2ACA1
SCHEMBL10118029 0.81 MEN1 (0.61) MEN1USP2POLBKMT2ACA1
SCHEMBL26801671 0.79 MEN1 (0.62) MEN1USP2POLBKMT2ACA1
SCHEMBL11649088 0.78 MEN1 (0.60) MEN1USP2POLBKMT2ACA1
SCHEMBL10117976 0.77 MEN1 (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL6786908 0.77 MEN1 (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL12841594 0.77 MEN1 (0.57) MEN1USP2POLBKMT2ACA1
SCHEMBL1536670 0.77 MEN1 (0.57) MEN1USP2POLBKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 — — US disclosed
US-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections PHARMASSET, INC. 2004-04-29 — — 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 (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-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections CYP4B1, HAVCR2, CYP2S1 MEN1 4070/4885USP2 4781/4885POLB 3590/4885

“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.

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