SCHEMBL1709280

SCHEMBL1709280

CCC(=O)[C@H](COC(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL18522488 0.77 MAPK1 (0.43) MAPK1GRNSORT1
SCHEMBL8032315 0.77 MAPK1 (0.43) MAPK1GRNSORT1
SCHEMBL1703529 0.77 MAPK1 (0.43) MAPK1GRNSORT1
SCHEMBL15925085 0.75 MAPK1 (0.41) MAPK1GRNSORT1
SCHEMBL1709291 0.75 MAPK1 (0.41) MAPK1GRNSORT1
SCHEMBL8380546 0.73 TSHR (0.31)
SCHEMBL8380494 0.73 TSHR (0.31)
SCHEMBL1709281 0.72 CYP2D6 (0.42)
SCHEMBL14374875 0.71 MAPK1 (0.38) MAPK1GRNSORT1
SCHEMBL1709302 0.70 MMP1 (0.33)

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 MAPK1 2497/4885GRN 3021/4885SORT1 4458/4885

“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.