Leucine

Leucine

SCHEMBL6418640

CC(C)CC(N)C(=O)O.CCCc1ccc(CC[C@H](N[C@H](C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
MMP2 P08253 5/20 0.44
MMP3 P08254 4/20 0.44
MMP1 P03956 1/20 0.44
MAPT P10636 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 7/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KIF11 P52732 1/20 0.41
LTA4H P09960 1/20 0.39

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 SCHEMBL7364033 1.00 SLC7A5 (0.44) SLC7A5MMP2MMP3MMP1MAPT
Leucine SCHEMBL7367908 0.93 SLC7A5 (0.44) SLC7A5MMP2MMP3MMP1MAPT
Leucine SCHEMBL6411762 0.93 SLC7A5 (0.44) SLC7A5MMP2MMP3MMP1MAPT
Leucine SCHEMBL7318515 0.90 MMP2 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL6416175 0.90 MMP2 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL6412971 0.90 MMP2 (0.50) MMP2MMP3MMP1MMEACE
Leucine SCHEMBL6413862 0.89 ALDH1A1 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL7365687 0.89 ALDH1A1 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL7327425 0.86 SLC1A3 (0.43) MMP2MMP3MMEACE
Leucine SCHEMBL7319680 0.85 MMP2 (0.61) SLC7A5MMP2MMP3MMP1MME

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932551-A INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES MERCK & CO., INC. (US) 1999-08-03 US claimed
WO-1992021360-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1992-12-10 WO claimed
US-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
EP-1366765-A1 Use of matrix metalloproteinase inhibitors for treating neurological disorders and promoting wound healing WARNER-LAMBERT COMPANY LLC (US) 2003-12-03 EP disclosed
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US disclosed
US-6133304-A TREATING FIBROSIS, VENTRICULAR DILATION, AND/OR HEART FAILURE IN A MAMMAL BY ADMINISTERING AN ANTIFIBROTIC AMOUNT OF A MIXTURE OF AN ANGIOTENSIN-CONVERTING ENZYME(ACE) INHIBITOR AND AT LEAST ONE MATRIX METALLOPROTEINASE(MMP) INHIBITOR WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
US-5932551-A INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES MERCK & CO., INC. (US) 1999-08-03 US disclosed
WO-1992021360-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1992-12-10 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 (2 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-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 SLC7A5 1717/4885MMP2 19/4885MMP3 3/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 SLC7A5 1717/4885MMP2 19/4885MMP3 3/4885

“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.