SCHEMBL13649296

SCHEMBL13649296

CC1=C(CCNC(=O)C(COC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
CTSS P25774 11/20 0.45
CTSK P43235 10/20 0.44
CTSB P07858 3/20 0.43
CTSL P07711 1/20 0.43
CA2 P00918 3/20 0.43
MALT1 Q9UDY8 1/20 0.42
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL13649290 0.90 CTSS (0.47) AKT1CTSSCTSKCTSBCTSL
SCHEMBL4122244 0.85 MALT1 (0.45) AKT1CTSSCTSKCA2MALT1
SCHEMBL13649295 0.85 MALT1 (0.45) AKT1CTSSCTSKCA2MALT1
SCHEMBL4122496 0.83 MALT1 (0.57) AKT1CA2MALT1
SCHEMBL13649297 0.83 CA2 (0.58) CTSSCTSKCA2MALT1
SCHEMBL4110696 0.83 CA2 (0.58) CTSSCTSKCA2MALT1
SCHEMBL13649299 0.81 CA2 (0.48) AKT1CTSSCTSKCA2MALT1
SCHEMBL4121126 0.80 CTSL (0.65) CTSSCTSKCTSL
SCHEMBL14386438 0.80 CTSS (0.45) AKT1CTSSCTSKCTSBCTSL
SCHEMBL4116583 0.78 MALT1 (0.49) AKT1CA2MALT1

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
US-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 AKT1 1691/4885CTSS 2707/4885CTSK 2168/4885

“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.