SCHEMBL9995328

SCHEMBL9995328

CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.50
▸ CTSS P25774 12/20 0.46
▸ CTSK P43235 9/20 0.46
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ITGB3 P05106 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL28969876 0.85 CTSS (0.49) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL16185927 0.83 CA1 (0.54) CAPN1CTSSCTSKMEN1GAA
SCHEMBL23626340 0.82 CTSK (0.55) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL28257698 0.80 CTSK (0.46) CTSSCTSKCTSLCTSBCA2
SCHEMBL13955236 0.80 CTSK (0.46) CTSSCTSKCTSLCTSBCA2
SCHEMBL23822625 0.80 CTSK (0.46) CTSSCTSKCTSLCTSBCA2
SCHEMBL1023991 0.80 CTSK (0.55) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL14030540 0.79 CA1 (0.53) CAPN1CTSSCTSKMEN1GAA
SCHEMBL31276790 0.79 CTSS (0.52) CAPN1CTSSCTSKCTSLCTSB
SCHEMBL31277057 0.79 CTSS (0.49) CAPN1CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398822-B1 MODIFICATION OF FACTOR VIII NOVO NORDISK AS (DK) 2013-01-02 — — EP disclosed
EP-2398822-B1 MODIFICATION OF FACTOR VIII NOVO NORDISK AS (DK) 2013-01-02 — — EP disclosed
US-20110306551-A1 Modification of Factor VIII NOVO NORDISK A/S (DK) 2011-12-15 — — US disclosed
US-20110306551-A1 Modification of Factor VIII NOVO NORDISK A/S (DK) 2011-12-15 — — US disclosed
WO-2010102886-A1 MODIFICATION OF FACTOR VIII NOVO NORDISK A/S (DK) 2010-09-16 — — 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-20110306551-A1 Modification of Factor VIII F8, F9, F13B CAPN1 3038/4885CTSS 1388/4885CTSK 507/4885

“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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