SCHEMBL4110696

SCHEMBL4110696

CC1=C(CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.58
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MALT1 Q9UDY8 1/20 0.43
CA5A P35218 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
CA1 P00915 1/20 0.42
GLS O94925 1/20 0.41
BACE1 P56817 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13649297 1.00 CA2 (0.58) CA2CTSSCTSKMALT1CA5A
SCHEMBL13649299 0.91 CA2 (0.48) CA2CTSSCTSKMALT1
SCHEMBL4121588 0.89 CTSS (0.50) CA2CTSSCTSKMEN1KMT2A
SCHEMBL13649292 0.89 CTSS (0.50) CA2CTSSCTSKMEN1KMT2A
SCHEMBL4122244 0.89 MALT1 (0.45) CA2CTSSCTSKMALT1KMT2A
SCHEMBL13649295 0.89 MALT1 (0.45) CA2CTSSCTSKMALT1KMT2A
SCHEMBL13649312 0.86 CA2 (0.46) CA2CTSSCTSKCA5AMEN1
SCHEMBL13656084 0.86 CA2 (0.46) CA2CTSSCTSKCA5AMEN1
SCHEMBL4122496 0.85 MALT1 (0.57) CA2MALT1CA1ALDH1A1SMN1; SMN2
SCHEMBL13649296 0.83 AKT1 (0.46) CA2CTSSCTSKMALT1

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 1 patent. 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

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 CA2 3087/4885CTSS 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.