SCHEMBL20849995

SCHEMBL20849995

CCCC[C@H](C(=O)C(C)(C)C)N(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CA1 P00915 4/20 0.37
▸ SLC1A2 P43004 2/20 0.37
▸ SLC1A1 P43005 2/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ PDF Q9HBH1 4/20 0.34
▸ GRIK1 P39086 2/20 0.33
▸ GRIK2 Q13002 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ FDPS P14324 1/20 0.31
▸ CTSK P43235 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
SCHEMBL20849760 0.89 CHRM1 (0.37) CA2CA1SLC1A2SLC1A1SLC1A3
SCHEMBL20849756 0.89 CHRM1 (0.37) CA2CA1SLC1A2SLC1A1SLC1A3
SCHEMBL19483440 0.82 CPB2 (0.38) —
SCHEMBL22861972 0.81 CA2 (0.39) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL18594710 0.79 CA2 (0.31) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL26837413 0.78 — —
SCHEMBL26897082 0.76 ALOX15 (0.34) —
SCHEMBL20849992 0.76 — —
SCHEMBL26153445 0.74 GRIK1 (0.33) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL20849759 0.73 AAK1 (0.30) —

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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY 2019-03-28 — — 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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES MTOR, COASY, RICTOR CA2 4782/4885MAPK1 2793/4885CA1 4716/4885

“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.

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