Leucine

Leucine

SCHEMBL6369629

CC(C)C[C@H](N)C(=O)O.C[C@H](NC1CCCCC1)C(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
GRIK1 P39086 2/20 0.40
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC1A1 P43005 2/20 0.39
DPP7 Q9UHL4 2/20 0.38
GRIK2 Q13002 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 SCHEMBL6369626 1.00 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Leucine SCHEMBL3724834 0.86 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Leucine SCHEMBL3724837 0.86 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Alanine SCHEMBL10446535 0.84 ALDH1A1 (0.44) EPHX1ALDH1A1MEN1RECQLKMT2A
SCHEMBL288384 0.83 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1RECQLKMT2A
SCHEMBL5980144 0.83 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1RECQLKMT2A
SCHEMBL1468174 0.83 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1RECQLKMT2A
SCHEMBL38557 0.83 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1RECQLKMT2A
SCHEMBL1468176 0.83 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1RECQLKMT2A
SCHEMBL16635360 0.83 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969703-B2 Inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-11-29 US claimed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US claimed
EP-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP claimed
US-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-12-18 US claimed
US-20030199454-A1 Inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2003-10-23 US claimed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 WO claimed
US-6525024-B1 Sulfonimide (substituted) acyl dipeptidyl compounds IDUN PHARMACEUTICALS, INC. 2003-02-25 US claimed
EP-1276717-A2 INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-01-22 EP claimed
JP-2002527504-A 2002-08-27 JP claimed
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US claimed
WO-2001079162-A2 INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP claimed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US claimed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO claimed

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-20030199454-A1 Inhibitors of the ICE/ced-3 family of cysteine proteases CASP1, CASP3, DPP3 SLC7A5 2958/4885SLC1A3 1169/4885SLC1A2 3186/4885
US-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 SLC7A5 2218/4885SLC1A3 771/4885SLC1A2 2532/4885
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 SLC7A5 2218/4885SLC1A3 771/4885SLC1A2 2532/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 SLC7A5 2218/4885SLC1A3 771/4885SLC1A2 2532/4885

“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.