SCHEMBL21690109

SCHEMBL21690109

CN[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 2/20 0.55
ITGB1 P05556 2/20 0.52
ITGA4 P13612 2/20 0.52
ITGB7 P26010 2/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TSHR P16473 2/20 0.49
EPHX1 P07099 2/20 0.49
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL21690039 1.00 KMT2A (0.57) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21689926 0.87 ITGB1 (0.66) ITGB1ITGA4ITGB7
SCHEMBL13383323 0.86 KMT2A (0.55) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21690040 0.84 FKBP1A (0.65) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21690440 0.81 KMT2A (0.58) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21689918 0.81 KMT2A (0.58) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21689981 0.81 ACACB (0.56) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL8299831 0.81 ITGA4 (0.57) KMT2ASMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL23194179 0.80 CACNA1B (0.45) KMT2ASMN1; SMN2MEN1ITGB1ITGA4
SCHEMBL8278642 0.79 ITGA4 (0.79) KMT2ASMN1; SMN2RAB9AKDM4ENPC1

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 4 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
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 KMT2A 4739/4885SMN1; SMN2 4722/4885RAB9A 2135/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KMT2A 4739/4885SMN1; SMN2 4722/4885RAB9A 2135/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KMT2A 4739/4885SMN1; SMN2 4722/4885RAB9A 2135/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KMT2A 4739/4885SMN1; SMN2 4722/4885RAB9A 2135/4885

“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.