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Lysine

Lysine

SCHEMBL2163339

CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O.CC(C)[C@H](N)C(=O)O.NC(=O)c1c(N)c2ccccc2oc1=O.NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Lysine. 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
▸ C5AR1 P21730 2/20 0.33
▸ GHSR Q92847 1/20 0.32
▸ NTSR2 O95665 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ TUBB4A P04350 2/20 0.32
▸ TUBB P07437 2/20 0.32
▸ TUBA3C P0DPH7 2/20 0.32
▸ TUBA1B P68363 2/20 0.32
▸ TUBA4A P68366 2/20 0.32
▸ TUBB4B P68371 2/20 0.32
▸ TUBB3 Q13509 2/20 0.32
▸ TUBB2A Q13885 2/20 0.32
▸ TUBB8 Q3ZCM7 2/20 0.32
▸ TUBA3E Q6PEY2 2/20 0.32
▸ TUBA1A Q71U36 2/20 0.32
▸ TUBA1C Q9BQE3 2/20 0.32
▸ TUBB6 Q9BUF5 2/20 0.32
▸ TUBB2B Q9BVA1 2/20 0.32
▸ TUBB1 Q9H4B7 2/20 0.32

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
Histidine SCHEMBL2164030 0.93 GHSR (0.34) C5AR1GHSRNTSR2NTSR1SORT1
Phenylalanine SCHEMBL2162816 0.86 ITGB3 (0.36) C5AR1GHSRECE1
Valine SCHEMBL2163336 0.80 MAOB (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Histidine SCHEMBL17685559 0.76 GSR (0.33) GHSR
Histidine SCHEMBL2164028 0.75 MAOB (0.33) GHSRTUBB4ATUBBTUBA3CTUBA1B
Phenylalanine SCHEMBL8810515 0.74 ALPI (0.38) GHSRREN
Phenylalanine SCHEMBL1239600 0.73 GHSR (0.35) GHSRREN
Histidine SCHEMBL23831122 0.73 GSR (0.39) GHSR
D-Histidine SCHEMBL11414815 0.73 GSR (0.39) GHSR
Histidine SCHEMBL18297983 0.73 GSR (0.39) GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 — — EP disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 — — US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 — — US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 — — US disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 — — US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 — — US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 — — EP disclosed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 — — EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 — — US disclosed
US-7507755-B2 Inhibitors of cathepsin s IRM LLC (BM) 2009-03-24 — — US disclosed
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate IRM LLC (BM) 2005-05-19 — — US disclosed
WO-2005039496-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-05-06 — — WO disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 — — WO disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 — — US disclosed
WO-2005018568-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-03-03 — — WO disclosed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 — — WO disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 — — US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 — — 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 (7 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ C5AR1 1398/4885GHSR 1600/4885NTSR2 1389/4885
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate CTSS, CTSZ, CTSV C5AR1 1433/4885GHSR 1833/4885NTSR2 1662/4885
US-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ C5AR1 1398/4885GHSR 1600/4885NTSR2 1389/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ C5AR1 1398/4885GHSR 1600/4885NTSR2 1389/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE C5AR1 1550/4885GHSR 1509/4885NTSR2 1293/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF C5AR1 1096/4885GHSR 2286/4885NTSR2 2525/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV C5AR1 499/4885GHSR 491/4885NTSR2 158/4885

“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.