SCHEMBL1693084

SCHEMBL1693084

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ MAPK1 P28482 1/20 0.41
▸ KEAP1 Q14145 2/20 0.37
▸ PPARA Q07869 3/20 0.35
▸ PYGL P06737 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ THPO P40225 1/20 0.32

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
SCHEMBL1693987 1.00 GRN (0.50) GRNSORT1MAPK1KEAP1PPARA
SCHEMBL5048325 1.00 GRN (0.50) GRNSORT1MAPK1KEAP1PPARA
Hydrochloric Acid SCHEMBL2490304 0.98 GRN (0.49) GRNSORT1MAPK1KEAP1PPARA
SCHEMBL19230492 0.83 MAPK1 (0.41) GRNSORT1MAPK1
SCHEMBL1361481 0.83 MAPK1 (0.41) GRNSORT1MAPK1KEAP1BACE1
SCHEMBL28528204 0.83 MAPK1 (0.41) GRNSORT1MAPK1KEAP1BACE1
SCHEMBL19230491 0.83 MAPK1 (0.41) GRNSORT1MAPK1
SCHEMBL18515857 0.82 GRN (0.56) GRNSORT1MAPK1KEAP1PPARA
SCHEMBL978015 0.82 GRN (0.49) GRNSORT1MAPK1KEAP1PPARA
SCHEMBL13711068 0.82 MAPK1 (0.40) GRNSORT1MAPK1

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-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 — — US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 — — US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 — — WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 — — US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 — — 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 (4 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR GRN 1214/4885SORT1 377/4885MAPK1 3527/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GRN 1214/4885SORT1 377/4885MAPK1 3527/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GRN 1214/4885SORT1 377/4885MAPK1 3527/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GRN 1214/4885SORT1 377/4885MAPK1 3527/4885

“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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