Leucine

Leucine

SCHEMBL782845

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

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Leucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.75
SLC1A3 P43003 7/20 0.59
SLC1A2 P43004 7/20 0.59
SLC1A1 P43005 7/20 0.50
CACNA2D1 P54289 2/20 0.44
CACNB3 P54284 1/20 0.44
CACNA1C Q13936 1/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D2 Q9NY47 1/20 0.44
GRIK1 P39086 5/20 0.42
GRIK2 Q13002 3/20 0.42
GLRA1 P23415 1/20 0.42
SLC6A9 P48067 1/20 0.42
OR51E2 Q9H255 1/20 0.42
GRIA2 P42262 3/20 0.40
GRIA4 P48058 3/20 0.40
GRIK3 Q13003 3/20 0.40
GRIK5 Q16478 3/20 0.40

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
Leucine SCHEMBL5665165 1.00 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL4394541 1.00 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL4664449 1.00 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL3049775 1.00 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL4946381 1.00 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL15322750 0.96 SLC7A5 (0.69) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL15322747 0.96 SLC7A5 (0.69) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
D-Leucine SCHEMBL1537345 0.96 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL2154089 0.96 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL625031 0.96 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261588-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHONGQING UPGRA BIOLOGICAL SCI. & TECH., LTD. (CN) 2020-08-20 US claimed
EP-3677284-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF Chongqing Upgra Biological Sci.&Tech., Ltd. (CN) 2020-07-08 EP claimed
EP-2796544-B1 Tissue engineering methods and compositions UNIV DUKE (US) 2019-04-03 EP claimed
US-9649409-B2 Tissue engineering methods and compositions CYTEX THERAPEUTICS, INC. (US) 2017-05-16 US claimed
EP-3074415-A1 NOVEL ULTRASHORT HYDROPHOBIC PEPTIDES THAT SELF-ASSEMBLE INTO NANOFIBROUS HYDROGELS AND THEIR USES Agency For Science, Technology And Research (SG) 2016-10-05 EP claimed
WO-2015080670-A1 NOVEL ULTRASHORT HYDROPHOBIC PEPTIDES THAT SELF-ASSEMBLE INTO NANOFIBROUS HYDROGELS AND THEIR USES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-04 WO claimed
EP-2796544-A1 Tissue engineering methods and compositions Duke University (US) 2014-10-29 EP claimed
US-20140227336-A1 Tissue Engineering Methods and Compositions CYTEX THERAPEUTICS, INC. (US) 2014-08-14 US claimed
US-20090196901-A1 Tissue Engineering Methods and Compositions CYTEX THERAPEUTICS, INC. 2009-08-06 US claimed
EP-1054677-B1 COSMETIC OR DERMATOLOGICAL USE OF 7-HYDROXYLATED STEROIDS ALONE AND/OR IN COMBINATION WITH ELASTIN DERIVED PEPTIDES CONNECTIVE TISSUE IMAGINEERING (US) 2008-10-22 EP claimed
EP-1874222-A1 THREE-DIMENSIONAL FIBER SCAFFOLDS FOR TISSUE ENGINEERING Duke University (US) 2008-01-09 EP claimed
WO-2007030811-A2 TISSUE ENGINEERING METHODS AND COMPOSITIONS DUKE UNIVERSITY (US) 2007-03-15 WO claimed
US-20070041952-A1 Three-dimensional fiber scaffolds for tissue engineering DUKE UNIVERSITY (US) 2007-02-22 US claimed
WO-2006113642-A1 THREE-DIMENSIONAL FIBER SCAFFOLDS FOR TISSUE ENGINEERING DUKE UNIVERSITY (US) 2006-10-26 WO claimed
WO-2002007961-A1 THREE-DIMENSIONAL FIBER SCAFFOLDS FOR INJURY REPAIR 3TEX, INC. (US) 2002-01-31 WO claimed
CN-1300220-A Peptide compositions and formulations and use of same MRS LTD (US) 2001-06-20 CN claimed
WO-1996004297-A9 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1996-05-02 WO claimed
WO-1994021816-A1 TEST KITS AND METHODS FOR RAPIDLY TESTING FOR CONTAMINATION BY MICROORGANISMS ENVIROCON INTERNATIONAL INCORPORATED (US) 1994-09-29 WO claimed
WO-2023166975-A1 PEPTIDE COMPOUND PRODUCTION METHOD 国立大学法人徳島大学 2023-09-07 WO disclosed
US-4382081-A ANTIARRTHRITIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1983-05-03 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 (1 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-20200261588-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, SLC11A2 SLC7A5 322/4885SLC1A3 3109/4885SLC1A2 3695/4885

“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.