SCHEMBL2768198

SCHEMBL2768198

COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.81
▸ CNR1 P21554 3/20 0.60
▸ PLCD1 P51178 1/20 0.60
▸ F2 P00734 1/20 0.60
▸ PRSS1 P07477 1/20 0.60
▸ PRSS2 P07478 1/20 0.60
▸ PRSS3 P35030 1/20 0.60
▸ TPSAB1 Q15661 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ IDE P14735 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ RIN1 Q13671 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CNR2 P34972 2/20 0.59
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58

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
SCHEMBL18257192 1.00 TDP1 (0.81) TDP1CNR1PLCD1F2PRSS1
SCHEMBL19959667 1.00 TDP1 (0.81) TDP1CNR1PLCD1F2PRSS1
SCHEMBL18779801 0.92 TDP1 (0.78) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL16141189 0.91 TDP1 (0.97) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19409007 0.91 TDP1 (0.73) TDP1CNR1PLCD1F2PRSS1
SCHEMBL19380670 0.91 TDP1 (0.73) TDP1CNR1PLCD1F2PRSS1
SCHEMBL13497919 0.91 TDP1 (0.67) TDP1CNR1PLCD1F2PRSS1
SCHEMBL12675370 0.91 TDP1 (0.67) TDP1CNR1PLCD1F2PRSS1
SCHEMBL10047701 0.90 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL565879 0.90 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM

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-1455189-B1 Method for labelling phosphorylated peptides, complex compounds used in the methods, process for producing the same, and their intermediates NARD INSTITUTE LTD (JP) 2010-04-14 — — EP disclosed
US-7202093-B2 Method for labeling phosphorylated peptides, method for selectively adsorbing phosphorylated peptides, complex compounds used in the methods, process for producing the complex compounds, and raw material compounds for the complex compounds KABUSHIKI KAISHA NARD KENKYUSHO (JP) 2007-04-10 — — US disclosed
US-20040198712-A1 Method for labeling phosphorylated peptides, method for selectively adsorbing phosphorylated peptides, complex compounds used in the methods, process for producing the complex compounds, and raw material compounds for the complex compounds KABUSHIKI KAISHA NARD KENKYUSHO (JP) 2004-10-07 — — US disclosed
EP-1455189-A1 Method for labelling phosphorylated peptides, complex compounds used in the methods, process for producing the same, and their intermediates KABUSHIKI KAISHA NARD KENKYUSHO (JP) 2004-09-08 — — EP 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-20040198712-A1 Method for labeling phosphorylated peptides, method for selectively adsorbing phosphorylated peptides, complex compounds used in the methods, process for producing the complex compounds, and raw material compounds for the complex compounds PTMS, ACP1, CHAMP1 TDP1 3467/4885CNR1 4866/4885PLCD1 1132/4885

“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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