SCHEMBL6395754

SCHEMBL6395754

O=C(OC[C@H]1O[C@@H](c2nc3ccc(Cl)cc3s2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 3/20 0.49
▸ GAPDH P04406 1/20 0.46
▸ HRAS P01112 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTPN1 P18031 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ P2RY4 P51582 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ UPP1 Q16831 1/20 0.36

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
SCHEMBL6393923 0.88 MEN1 (0.48) P2RY2GAPDHHRASKMT2AMEN1
SCHEMBL6397605 0.87 HRAS (0.53) P2RY2GAPDHHRASKMT2AMEN1
SCHEMBL6396728 0.83 P2RY2 (0.50) P2RY2GAPDHHRASKMT2AMEN1
SCHEMBL6400050 0.81 P2RY2 (0.52) P2RY2GAPDHHRASKMT2AMEN1
SCHEMBL6394157 0.77 P2RY2 (0.49) P2RY2GAPDHHRASKMT2AMEN1
SCHEMBL7170679 0.74 MEN1 (0.48) GAPDHHRASKMT2AMEN1USP2
SCHEMBL11148936 0.73 MEN1 (0.46) GAPDHHRASKMT2AMEN1USP2
SCHEMBL8790014 0.72 USP2 (0.53) GAPDHHRASKMT2AMEN1USP2
SCHEMBL13224525 0.71 USP2 (0.55) GAPDHHRASKMT2AMEN1USP2
SCHEMBL10508090 0.71 USP2 (0.55) GAPDHHRASKMT2AMEN1USP2

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 P2RY2 4/4885GAPDH 2254/4885HRAS 1321/4885

“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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