SCHEMBL5832621

SCHEMBL5832621

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ IDE P14735 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ RIN1 Q13671 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ FOLH1 Q04609 2/20 0.55
▸ CA12 O43570 6/20 0.55
▸ CA1 P00915 6/20 0.55
▸ CA2 P00918 6/20 0.55
▸ CA9 Q16790 6/20 0.55
▸ CAPN1 P07384 2/20 0.51
▸ HLCS P50747 2/20 0.50
▸ PTPRF P10586 2/20 0.48
▸ PTPN2 P17706 2/20 0.48
▸ PTPN1 P18031 2/20 0.48

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
SCHEMBL29400740 0.89 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL4624128 0.87 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378143 0.87 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378084 0.86 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL31248180 0.85 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378057 0.85 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378085 0.85 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL9807479 0.85 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL31332171 0.84 CAPN1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL10140261 0.84 TDP1 (0.62) 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
US-20040180381-A1 Method for determining amino acid sequence of a peptide SHIMADZU CORPORATION (JP) 2004-09-16 — — US claimed
US-7041472-B2 Method for selectively collecting N-terminal peptide fragment of protein SHIMADZU CORPORATION (JP) 2006-05-09 — — US disclosed
US-20040180381-A1 Method for determining amino acid sequence of a peptide SHIMADZU CORPORATION (JP) 2004-09-16 — — US disclosed
US-20040152155-A1 Method for selectively collecting N-terminal peptide fragment of protein SHIMADZU CORPORATION (JP) 2004-08-05 — — 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-20040180381-A1 Method for determining amino acid sequence of a peptide VIP, ANPEP, DNPEP TDP1 2820/4885MEN1 940/4885ABL1 2829/4885

“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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