Isoleucine

Isoleucine

SCHEMBL3057441

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
DPP4 P27487 12/20 0.41
DPP8 Q6V1X1 8/20 0.41
DPP9 Q86TI2 7/20 0.41
GLRA1 P23415 1/20 0.40
SLC6A9 P48067 1/20 0.40
OR51E2 Q9H255 1/20 0.40
DPP7 Q9UHL4 7/20 0.37

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
Isoleucine SCHEMBL2547350 1.00 SLC7A5 (0.43) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL11168084 1.00 SLC7A5 (0.43) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL1537379 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL8492488 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL94554 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL1675494 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL3046356 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL1537299 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL1537377 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1
Isoleucine SCHEMBL4400069 0.96 SLC7A5 (0.46) SLC7A5DPP4DPP8DPP9GLRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1064010-A4 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME CONNECTIVE TISSUE IMAGINEERING (US) 2004-10-06 EP claimed
US-6777389-B1 INHIBITING CUTANEOUS EFFECTS OF AGING CONNECTIVE TISSUE IMAGINEERING LLC 2004-08-17 US claimed
CN-1300220-A Peptide compositions and formulations and use of same MRS LTD (US) 2001-06-20 CN claimed
EP-1064010-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME Mrs, Llc (US) 2001-01-03 EP claimed
WO-1999045941-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME MRS, LLC (US) 1999-09-16 WO claimed
US-7666842-B2 Elastin peptide analogs and uses thereof Connective Tissue Imagineering, LLC (US) 2010-02-23 US disclosed
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 disclosed
EP-1064010-B1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME CONNECTIVE TISSUE IMAGINEERING (US) 2008-02-20 EP disclosed
EP-1392346-A4 COMPOSITION AND METHOD FOR ENHANCING ELASTICITY OF TISSUE CONNECTIVE TISSUE IMAGINEERING (US) 2006-10-25 EP disclosed
US-6962904-B1 Elastin peptide analogs and uses thereof CONNECTIVE TISSUE IMAGINEERING (US) 2005-11-08 US disclosed
EP-1054677-A4 COSMETIC OR DERMATOLOGICAL USE OF 7-HYDROXYLATED STEROIDS ALONE AND/OR IN COMBINATION WITH ELASTIN DERIVED PEPTIDES MRS LLC (US) 2005-07-27 EP disclosed
US-20050059599-A1 Elastin peptide analogs and uses thereof CONNECTIVE TISSUE IMAGINEERING LLC. 2005-03-17 US disclosed
US-6506731-B1 Peptide or peptide-like compound(s) of the present invention appear to aid the elasticity and/or turgor of the skin CONNECTIVE TISSUE IMAGINEERING LLC 2003-01-14 US disclosed
WO-2001091700-A2 COMPOSITION AND METHOD FOR ENHANCING ELASTICITY OF TISSUE CONNECTIVE TISSUE IMAGINEERING LLC (US) 2001-12-06 WO disclosed
WO-2000028996-A9 COSMETIC OR DERMATOLOGICAL USE OF 7-HYDROXYLATED STEROIDS ALONE AND/OR IN COMBINATION WITH ELASTIN DERIVED PEPTIDES MRS LLC (US) 2001-08-02 WO disclosed
EP-1064010-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME Mrs, Llc (US) 2001-01-03 EP disclosed
EP-1054677-A1 COSMETIC OR DERMATOLOGICAL USE OF 7-HYDROXYLATED STEROIDS ALONE AND/OR IN COMBINATION WITH ELASTIN DERIVED PEPTIDES Mrs, Llc (US) 2000-11-29 EP disclosed
WO-2000028996-A1 COSMETIC OR DERMATOLOGICAL USE OF 7-HYDROXYLATED STEROIDS ALONE AND/OR IN COMBINATION WITH ELASTIN DERIVED PEPTIDES MRS, LLC (US) 2000-05-25 WO disclosed
WO-1999045941-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME MRS, LLC (US) 1999-09-16 WO 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-20050059599-A1 Elastin peptide analogs and uses thereof ELANE, CUTA, ENPEP SLC7A5 2652/4885DPP4 2092/4885DPP8 1351/4885

“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.