SCHEMBL10042967

SCHEMBL10042967

CNCC(=O)NC(C)(C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CNR2 P34972 4/20 0.33
RECQL P46063 1/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15095354 0.93 DGAT1 (0.31) DGAT1CNR2
SCHEMBL12361968 0.82 DGAT1 (0.39) DGAT1CNR2RECQLNPSR1
SCHEMBL16656672 0.80 CA1 (0.33) CA1CA2
SCHEMBL20671829 0.78 DGAT1 (0.37) DGAT1CNR2NPSR1
SCHEMBL10013884 0.78 DGAT1 (0.36) DGAT1
SCHEMBL10042965 0.77 ALDH1A1 (0.40) NPSR1
SCHEMBL14902200 0.77 MGAM (0.41) DGAT1CNR2CA1CA2NPSR1
SCHEMBL484144 0.77 CNR2 (0.36) DGAT1CNR2NPSR1
SCHEMBL32683939 0.77 MGAM (0.41) DGAT1CNR2RECQLCA2NPSR1
SCHEMBL13596286 0.75 MAPT (0.39) CA1CA2

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-8481496-B2 Gold (III) complexes with oligopeptides functionalized with sulfur donors and use thereof as antitumor agents UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2013-07-09 US disclosed
US-20120101044-A1 GOLD (III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UNIVERSITA' DEGLI STUDI DI PADOVA 2012-04-26 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-20120101044-A1 GOLD (III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UACA, UBXN4, PDIA3 DGAT1 2930/4885CNR2 4856/4885RECQL 4720/4885

“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.