SCHEMBL6397605

SCHEMBL6397605

COc1ccc2nc([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 3/20 0.53
▸ P2RY2 P41231 1/20 0.50
▸ SCD O00767 5/20 0.46
▸ PTPN1 P18031 5/20 0.45
▸ GAPDH P04406 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6395754 0.87 P2RY2 (0.49) HRASP2RY2PTPN1GAPDHKMT2A
SCHEMBL6393923 0.86 MEN1 (0.48) HRASP2RY2PTPN1GAPDHKMT2A
SCHEMBL6396728 0.81 P2RY2 (0.50) HRASP2RY2PTPN1GAPDHKMT2A
SCHEMBL6394157 0.81 P2RY2 (0.49) HRASP2RY2PTPN1GAPDHKMT2A
SCHEMBL6400050 0.80 P2RY2 (0.52) HRASP2RY2PTPN1GAPDHKMT2A
Benzoic Acid SCHEMBL6397602 0.76 P2RY2 (0.60) P2RY2SCDKMT2AMEN1POLB
SCHEMBL11148936 0.73 MEN1 (0.46) HRASPTPN1GAPDHKMT2AMEN1
SCHEMBL7170679 0.73 MEN1 (0.48) HRASPTPN1GAPDHKMT2AMEN1
SCHEMBL6394999 0.72 P2RY2 (0.65) P2RY2NPC1RAB9ASMN1; SMN2
SCHEMBL19619197 0.72 USP2 (0.55) HRASPTPN1GAPDHKMT2AMEN1

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-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2005-01-13 — — US disclosed
EP-1409503-A1 NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2004-04-21 — — EP disclosed
WO-2003011885-A1 NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2003-02-13 — — 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-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 HRAS 1321/4885P2RY2 4/4885SCD 4335/4885

“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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