SCHEMBL21689946

SCHEMBL21689946

N[C@@H](CCCC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.50
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 2/20 0.47
FKBP1A P62942 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
PIN1 Q13526 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
SCHEMBL2236916 0.90 ALOX15 (0.50) GLATSHRALOX15HSD17B10L3MBTL1
SCHEMBL2236922 0.90 ALOX15 (0.50) GLATSHRALOX15HSD17B10L3MBTL1
SCHEMBL1769630 0.86 DPP4 (0.49) GLATSHRALOX15HSD17B10L3MBTL1
SCHEMBL1769633 0.86 DPP4 (0.49) GLATSHRALOX15HSD17B10L3MBTL1
SCHEMBL21689913 0.81 GSR (0.42) ALOX15ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13687942 0.80 DPP4 (0.46) GLATSHRALOX15HSD17B10L3MBTL1
SCHEMBL14254554 0.80 DPP4 (0.46) GLATSHRALOX15HSD17B10L3MBTL1
SCHEMBL13585349 0.80 TAAR1 (0.51) GLATSHRALOX15HSD17B10FKBP1A
SCHEMBL13585347 0.80 TAAR1 (0.51) GLATSHRALOX15HSD17B10FKBP1A
SCHEMBL25218348 0.80 MEN1 (0.49) GLATSHRALOX15HSD17B10L3MBTL1

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 GLA 2929/4885TSHR 3853/4885ALOX15 2548/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GLA 2929/4885TSHR 3853/4885ALOX15 2548/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GLA 2929/4885TSHR 3853/4885ALOX15 2548/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GLA 2929/4885TSHR 3853/4885ALOX15 2548/4885

“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.