SCHEMBL21689907

SCHEMBL21689907

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.80
ARG2 P78540 4/20 0.70
ARG1 P05089 3/20 0.70
CYP1A2 P05177 3/20 0.62
GRM8 O00222 1/20 0.62
GRM6 O15303 1/20 0.62
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
GRIK1 P39086 1/20 0.62
GRM5 P41594 1/20 0.62
GRIA1 P42261 1/20 0.62
GRIA2 P42262 1/20 0.62
GRIA3 P42263 1/20 0.62
SLC1A3 P43003 1/20 0.62
SLC1A2 P43004 1/20 0.62
SLC1A1 P43005 1/20 0.62
GRIA4 P48058 1/20 0.62
GRIN1 Q05586 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIK2 Q13002 1/20 0.62

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
SCHEMBL3239635 1.00 GSR (0.80) GSRARG2ARG1CYP1A2GRM8
SCHEMBL29268443 1.00 GSR (0.80) GSRARG2ARG1CYP1A2GRM8
SCHEMBL293201 1.00 GSR (0.80) GSRARG2ARG1CYP1A2GRM8
SCHEMBL8893420 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8
Hydrochloric Acid SCHEMBL20541043 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8
SCHEMBL8894128 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8
Hydrochloric Acid SCHEMBL20541045 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8
Hydrochloric Acid SCHEMBL20541044 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8
SCHEMBL4848672 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8
SCHEMBL9829771 0.97 GSR (0.76) GSRARG2ARG1CYP1A2GRM8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586376-A Long-acting insulin compound 成都奥达生物科技有限公司 2024-02-23 CN disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
CN-114075276-A Long-acting relaxin 2 analogue 成都奥达生物科技有限公司 2022-02-22 CN disclosed
CN-114075275-A Long-acting insulin analogue 成都奥达生物科技有限公司 2022-02-22 CN disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US 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 GSR 4015/4885ARG2 1105/4885ARG1 2742/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GSR 4015/4885ARG2 1105/4885ARG1 2742/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GSR 4015/4885ARG2 1105/4885ARG1 2742/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GSR 4015/4885ARG2 1105/4885ARG1 2742/4885

“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.