Lysine

Lysine

SCHEMBL5585366

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.40

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
FFAR1 O14842 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
EPOR P19235 2/20 0.38
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
ALOX5 P09917 3/20 0.35
LTA4H P09960 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
ADAMTS4 O75173 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL5585365 1.00 FFAR1 (0.40) FFAR1HRH3EPORPTPN1PTPN2
Lysine SCHEMBL5585383 0.91 ITGB3 (0.36) KDM4EALDH1A1ITGB3ITGA2B
Lysine SCHEMBL5585384 0.91 ITGB3 (0.36) KDM4EALDH1A1ITGB3ITGA2B
SCHEMBL5585367 0.90 FFAR1 (0.38) FFAR1HRH3EPORPTPN1PTPN2
SCHEMBL5585466 0.89 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2ALOX5
SCHEMBL5999838 0.89 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2ALOX5
Hydrochloric Acid SCHEMBL5585627 0.89 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2ALOX5
SCHEMBL5585799 0.89 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2ALOX5
SCHEMBL5585509 0.89 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2ALOX5
Tromethamine SCHEMBL5585771 0.86 HRH3 (0.41) FFAR1HRH3PTPN1PTPN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 FFAR1 868/4885HRH3 840/4885EPOR 1093/4885

“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.