SCHEMBL10046706

SCHEMBL10046706

CCCCNC(=O)C(CC(C)C)NC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.55
BCHE P06276 1/20 0.52
MMP8 P22894 1/20 0.51
CAPN1 P07384 2/20 0.47
ACHE P22303 6/20 0.43
SCN9A Q15858 1/20 0.42
EPHX1 P07099 3/20 0.42
DPP7 Q9UHL4 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL18966688 0.81 ANPEP (0.54) CACNA1BCAPN1SCN9ACTSL
SCHEMBL29740065 0.81 CACNA1B (0.51) CACNA1BBCHEMMP8CAPN1SCN9A
SCHEMBL23961658 0.81 CACNA1B (0.51) CACNA1BBCHEMMP8CAPN1SCN9A
SCHEMBL22622500 0.81 CACNA1B (0.46) CACNA1BBCHEMMP8CAPN1SCN9A
SCHEMBL8956871 0.80 CACNA1B (0.49) CACNA1BBCHECAPN1SCN9ACTSL
SCHEMBL19993350 0.79 MMP8 (0.37) CACNA1BBCHEMMP8ACHEEPHX1
SCHEMBL7439605 0.78 CACNA1B (0.42) CACNA1BBCHEMMP8CAPN1SCN9A
SCHEMBL20542955 0.78 LPAR3 (0.62) MMP8CAPN1
SCHEMBL20543024 0.78 LPAR3 (0.62) MMP8CAPN1
SCHEMBL20543076 0.78 LPAR3 (0.62) MMP8CAPN1

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
US-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2012-01-26 US disclosed
US-8084610-B2 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2011-12-27 US disclosed
US-20080124274-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD 2008-05-29 US disclosed
US-20070286803-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD 2007-12-13 US disclosed
US-20070231256-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES E 2007-10-04 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-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas CA1, CA14, CA12 CACNA1B 3581/4885BCHE 1640/4885MMP8 111/4885

“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.