SCHEMBL10131159

SCHEMBL10131159

O=C(OC[C@H]1O[C@@H](n2cc(F)c3c(Cl)ncnc32)[C@@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAPDH P04406 2/20 0.49
▸ HRAS P01112 1/20 0.46
▸ P2RX3 P56373 2/20 0.46
▸ P2RX4 Q99571 2/20 0.46
▸ P2RX2 Q9UBL9 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ ADK P55263 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL30536338 1.00 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL20214417 1.00 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL10160533 1.00 MEN1 (0.49) MEN1USP2POLBKMT2AGAPDH
SCHEMBL23228246 0.93 LMNA (0.47) MEN1USP2POLBKMT2AGAPDH
SCHEMBL14644475 0.92 MEN1 (0.45) MEN1USP2POLBKMT2AGAPDH
SCHEMBL14010232 0.91 GAPDH (0.44) MEN1USP2POLBKMT2AGAPDH
SCHEMBL20938427 0.91 MEN1 (0.51) MEN1USP2POLBKMT2AGAPDH
SCHEMBL10160766 0.91 MEN1 (0.51) MEN1USP2POLBKMT2AGAPDH
SCHEMBL10131264 0.91 MEN1 (0.51) MEN1USP2POLBKMT2AGAPDH
SCHEMBL18572826 0.90 MEN1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133080-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2017-02-22 — — EP disclosed
EP-2231689-B1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES ACAD OF SCIENCE CZECH REPUBLIC (CZ) 2016-07-20 — — EP disclosed
US-8093226-B2 Cytostatic 7-deazapurine nucleosides INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) 2012-01-10 — — US disclosed
US-20090203637-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. 2009-08-13 — — 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 (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-20090203637-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES TYMP, TYMS, DPYD MEN1 2118/4885USP2 4064/4885POLB 244/4885

“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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