SCHEMBL1709401

SCHEMBL1709401

CCC(CC(N)=O)C(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA1 P00915 4/20 0.42
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
ECE1 P42892 1/20 0.30

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
SCHEMBL19483367 0.83 ECE1 (0.30) ECE1
SCHEMBL19483386 0.83 ECE1 (0.30) ECE1
SCHEMBL14519715 0.81 CA2 (0.42) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL15658499 0.80 ALDH1A1 (0.39) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL3833965 0.77 CA2 (0.54) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL10034713 0.76 ECE1 (0.34) CA2CA1ECE1
SCHEMBL1705139 0.76 ECE1 (0.34) CA2CA1ECE1
SCHEMBL4756185 0.75 SLC1A3 (0.52) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL4756180 0.75 SLC1A3 (0.52) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL16683908 0.75 SLC1A3 (0.52) CA2CA1MAPK1SLC1A3SLC1A2

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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CA2 4015/4885CA1 3499/4885MAPK1 2497/4885

“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.