SCHEMBL287554

SCHEMBL287554

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
LTA4H P09960 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANPEP P15144 3/20 0.31
ENPEP Q07075 3/20 0.31
ECE1 P42892 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL15984911 1.00 S1PR2 (0.34) S1PR2S1PR1LTA4HALOX15MEN1
SCHEMBL21690029 1.00 S1PR2 (0.34) S1PR2S1PR1LTA4HALOX15MEN1
SCHEMBL289167 0.89 ALOX15 (0.38) S1PR2S1PR1ALOX15MEN1CYP1A2
SCHEMBL7250717 0.89 ALOX15 (0.38) S1PR2S1PR1ALOX15MEN1CYP1A2
SCHEMBL7250716 0.89 ALOX15 (0.38) S1PR2S1PR1ALOX15MEN1CYP1A2
SCHEMBL287680 0.87 ALOX15 (0.40) S1PR2S1PR1ALOX15MEN1CYP1A2
SCHEMBL27999717 0.87 ALOX15 (0.40) S1PR2S1PR1ALOX15MEN1CYP1A2
SCHEMBL4268944 0.84 S1PR2 (0.36) S1PR2S1PR1LTA4HCYP1A2ANPEP
SCHEMBL5548230 0.83 ENPEP (0.50) S1PR2S1PR1MEN1CYP1A2KMT2A
Arginine SCHEMBL136113 0.80 OTC (0.48) ALOX15MEN1CYP1A2KMT2ATSHR

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 16 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
EP-2934563-B1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENT RESEARCH (IN) 2020-07-08 EP disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
EP-3436045-A1 SYNTHETIC COMPOUND FOR IMPROVING EFFICIENCY OF TRANSFECTION Klinikum der Universität München (DE) 2019-02-06 EP disclosed
CN-109232716-A The high penetrating power prodrugs composition of polypeptide and polypeptide related compound 上海泰飞尔生化技术有限公司 2019-01-18 CN disclosed
CN-108084246-A The high penetrating power prodrugs composition of polypeptide and polypeptide related compound 上海泰飞尔生化技术有限公司 2018-05-29 CN disclosed
WO-2017167870-A1 SYNTHETIC COMPOUND FOR IMPROVING EFFICIENCY OF TRANSFECTION KLINIKUM DER UNIVERSITÄT MÜNCHEN (DE) 2017-10-05 WO disclosed
EP-2934563-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF Jawaharlal Nehru Centre for Advanced Scientific Research (IN) 2015-10-28 EP disclosed
WO-2014097178-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2014-06-26 WO disclosed
EP-2427475-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE-RELATED COMPOUNDS Yu, Chongxi (US) 2012-03-14 EP disclosed
WO-2010127640-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE-RELATED COMPOUNDS TECHFIELDS BIOCHEM CO., LTD. (CN) 2010-11-11 WO disclosed
WO-2007047680-A2 INCREASING THE ACTIVITY OF RADICAL S-ADENOSYL METHIONINE (SAM) ENZYMES CARGILL, INCORPORATED (US) 2007-04-26 WO disclosed
US-4298725-A CULTURING PSEUDOMONAS TATE & LYLE LIMITED (GB) 1981-11-03 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 S1PR2 3038/4885S1PR1 3194/4885LTA4H 2828/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR S1PR2 3038/4885S1PR1 3194/4885LTA4H 2828/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR S1PR2 3038/4885S1PR1 3194/4885LTA4H 2828/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR S1PR2 3038/4885S1PR1 3194/4885LTA4H 2828/4885

“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.