SCHEMBL14416977

SCHEMBL14416977

COC(=O)C(NC(=O)C(CS)NC(=O)OC(C)(C)C)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSENEN Q9NZ42 5/20 0.42
▸ CTSK P43235 5/20 0.41
▸ CTSS P25774 4/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ PSEN1 P49768 4/20 0.41
▸ PSEN2 P49810 4/20 0.41
▸ APH1B Q8WW43 4/20 0.41
▸ NCSTN Q92542 4/20 0.41
▸ APH1A Q96BI3 4/20 0.41
▸ KLK5 Q9Y337 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CTSD P07339 2/20 0.38
▸ REN P00797 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
SCHEMBL30539290 0.87 PSENEN (0.55) PSENENCTSKCTSSCTSLCTSB
SCHEMBL2408132 0.85 CTSK (0.55) PSENENCTSKCTSSCTSLCTSB
SCHEMBL2408130 0.85 CTSK (0.55) PSENENCTSKCTSSCTSLCTSB
SCHEMBL9041907 0.84 CTSS (0.43) PSENENCTSKCTSSCTSLCTSB
SCHEMBL26818317 0.84 CTSS (0.43) PSENENCTSKCTSSCTSLCTSB
SCHEMBL9041191 0.84 CTSS (0.43) PSENENCTSKCTSSCTSLCTSB
SCHEMBL3058483 0.83 CTSK (0.41) PSENENCTSKCTSSCTSLCTSB
SCHEMBL10538884 0.83 SMN1; SMN2 (0.41) PSENENCTSKCTSSCTSLCTSB
SCHEMBL5886445 0.82 CTSK (0.46) PSENENCTSKCTSSCTSLCTSB
SCHEMBL22527163 0.82 CTSK (0.46) PSENENCTSKCTSSCTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637578-B2 Reagents and methods for the formation of disulfide bonds and the glycosylation of proteins ISIS INNOVATION LIMITED (GB) 2014-01-28 — — US disclosed
US-20070213506-A1 Reagents And Methods For The Formation Of Disulfide Bonds And The Glycosylation Of Proteins ISIS INNOVATION LIMITED (GB) 2007-09-13 — — 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-20070213506-A1 Reagents And Methods For The Formation Of Disulfide Bonds And The Glycosylation Of Proteins SCLY, PTMS, TST PSENEN 3293/4885CTSK 3243/4885CTSS 1881/4885

“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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