SCHEMBL21690442

SCHEMBL21690442

N[C@@H](Cc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ SLC7A5 Q01650 4/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ P2RY12 Q9H244 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MPO P05164 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49

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
SCHEMBL30107598 1.00 MEN1 (0.51) MEN1KMT2AGAAPOLBTDP1
SCHEMBL26793178 1.00 MEN1 (0.51) MEN1KMT2AGAAPOLBTDP1
SCHEMBL12154974 0.91 SLC7A5 (0.54) MEN1KMT2ATDP1SLC7A5PTGS1
SCHEMBL1733848 0.91 SLC7A5 (0.54) MEN1KMT2ATDP1SLC7A5PTGS1
SCHEMBL31370415 0.91 SLC7A5 (0.54) MEN1KMT2ATDP1SLC7A5PTGS1
SCHEMBL17189671 0.90 KMT2A (0.51) MEN1KMT2AGAAPOLBTDP1
SCHEMBL6714833 0.77 LMNA (0.56) GAAPOLBTDP1SLC7A5PTGS1
Tyrosine SCHEMBL28042203 0.77 SLC7A5 (0.60) MEN1KMT2AGAAPOLBTDP1
Water SCHEMBL11335239 0.76 LMNA (0.55) GAAPOLBTDP1SLC7A5PTGS1
SCHEMBL11603982 0.75 GRIA2 (0.61) GAATDP1SLC7A5PTGS1ALPI

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 MEN1 3914/4885KMT2A 4739/4885GAA 1820/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MEN1 3914/4885KMT2A 4739/4885GAA 1820/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MEN1 3914/4885KMT2A 4739/4885GAA 1820/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MEN1 3914/4885KMT2A 4739/4885GAA 1820/4885

“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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