SCHEMBL21689939

SCHEMBL21689939

N[C@@H](Cc1ccccc1)[C@H](O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.55
CPB1 P15086 1/20 0.55
CPA3 P15088 1/20 0.55
CPB2 Q96IY4 1/20 0.55
SLC15A1 P46059 2/20 0.54
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CSNK1E P49674 1/20 0.53
EPHX1 P07099 1/20 0.52
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
LTA4H P09960 1/20 0.47
CYP1A2 P05177 1/20 0.47
LAP3 P28838 5/20 0.47
ANPEP P15144 3/20 0.47
RNPEP Q9H4A4 1/20 0.47

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
SCHEMBL43394 1.00 CPA1 (0.55) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL3495957 1.00 CPA1 (0.55) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL10657726 0.85 CPA1 (0.58) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL7276908 0.85 CPA1 (0.58) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL7322202 0.85 CPA1 (0.58) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL197907 0.82 EPHX1 (0.64) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL287736 0.82 EPHX1 (0.64) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL123055 0.82 EPHX1 (0.64) CPA1CPB1CPA3CPB2SLC15A1
SCHEMBL10433814 0.82 CSNK1E (0.58) CPA3SLC15A1ALPIPKMPTGS1
SCHEMBL6425554 0.82 EPHX1 (0.62) SLC15A1ALPIPKMPTGS1XIAP

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 CPA1 3497/4885CPB1 2469/4885CPA3 2360/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CPA1 3497/4885CPB1 2469/4885CPA3 2360/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CPA1 3497/4885CPB1 2469/4885CPA3 2360/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CPA1 3497/4885CPB1 2469/4885CPA3 2360/4885

“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.