Lysine

Lysine

SCHEMBL6259867

NCCCC[C@H](N)C(=O)O.O=C(CCCCCN1C(=O)C=CC1=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.50
▸ ITGA2B P08514 4/20 0.50
▸ MMP2 P08253 2/20 0.46
▸ FAAH O00519 2/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ EPHX2 P34913 1/20 0.42

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
Lysine SCHEMBL28544081 0.89 ITGB3 (0.45) ITGB3ITGA2BFAAHHDAC3HDAC4
SCHEMBL29528481 0.88 FAAH (0.56) FAAHEPHX2
SCHEMBL5550466 0.88 FAAH (0.56) FAAHEPHX2
SCHEMBL5550460 0.88 FAAH (0.56) FAAHEPHX2
SCHEMBL31722260 0.84 SLC6A5 (0.54) ITGB3ITGA2BFAAHHDAC3HDAC4
SCHEMBL21152612 0.84 SLC6A5 (0.54) ITGB3ITGA2BFAAHHDAC3HDAC4
SCHEMBL31722125 0.84 SLC6A5 (0.54) ITGB3ITGA2BFAAHHDAC3HDAC4
SCHEMBL29695436 0.84 SLC6A5 (0.54) ITGB3ITGA2BFAAHHDAC3HDAC4
SCHEMBL12914891 0.84 SLC6A5 (0.54) ITGB3ITGA2BFAAHHDAC3HDAC4
SCHEMBL12436306 0.83 CHRNB2 (0.44) ITGB3ITGA2BMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961424-A1 ADMINISTRATION OF AN ANTI-GCC ANTIBODY-DRUG CONJUGATE AND A DNA DAMAGING AGENT IN THE TREATMENT OF CANCER Millennium Pharmaceuticals, Inc. (US) 2016-01-06 — — EP disclosed
WO-2014134311-A1 ADMINISTRATION OF AN ANTI-GCC ANTIBODY-DRUG CONJUGATE AND A DNA DAMAGING AGENT IN THE TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-04 — — WO disclosed
EP-2490720-A1 ANTI-GCC ANTIBODY MOLECULES AND RELATED COMPOSITIONS AND METHODS Millennium Pharmaceuticals, Inc. (US) 2012-08-29 — — EP disclosed
EP-1575514-A2 ANTI-CD20 ANTIBODY-DRUG CONJUGATES FOR THE TREATMENT OF CANCER AND IMMUNE DISORDERS Seattle Genetics, Inc. (US) 2005-09-21 — — EP disclosed
US-20050180972-A1 Anti-CD20 antibody-drug conjugates for the treatment of cancer and immune disorders SEATTLE GENETICS, INC. 2005-08-18 — — US disclosed
WO-2004032828-A2 ANTI-CD20 ANTIBODY-DRUG CONJUGATES FOR THE TREATMENT OF CANCER AND IMMUNE DISORDERS SEATTLE GENETICS, INC. (US) 2004-04-22 — — 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-20050180972-A1 Anti-CD20 antibody-drug conjugates for the treatment of cancer and immune disorders CD209, FCGR1A, CD47 ITGB3 403/4885ITGA2B 309/4885MMP2 3075/4885

“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.

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