SCHEMBL5991726

SCHEMBL5991726

COC(=O)c1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ GAPDH P04406 2/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ HRAS P01112 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ P2RX2 Q9UBL9 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39

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
SCHEMBL5991719 0.95 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7143681 0.92 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7215159 0.88 GAPDH (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL11655811 0.88 GAPDH (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL11747602 0.85 MEN1 (0.51) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7211433 0.82 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL13065349 0.82 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7215448 0.82 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7215444 0.82 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH
SCHEMBL6381295 0.82 MEN1 (0.56) MEN1USP2POLBKMT2AGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241065-A1 Ring-expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2006-10-26 — — US disclosed
US-20040077564-A1 Ring expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2004-04-22 — — US disclosed
US-6677310-B1 ANTICARCINOGENIC AGENTS; BACTERICIDES, FUNGICIDES, PARASITICIDES; VIRICIDES AGAINST HEPATITIS, EPSTEIN-BARR, CYTOMEGALO AND HUMAN IMMUNODEFICIENCY VIRUS NABI 2004-01-13 — — 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 (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-20060241065-A1 Ring-expanded nucleosides and nucleotides PNP, UMPS, ADA MEN1 2103/4885USP2 4113/4885POLB 433/4885
US-20040077564-A1 Ring expanded nucleosides and nucleotides PNP, PAICS, UMPS MEN1 2287/4885USP2 4306/4885POLB 365/4885

“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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