SCHEMBL5828772

SCHEMBL5828772

COC(=O)[C@H](CCCC(C)(C)N)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
CTSS P25774 5/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
P2RY2 P41231 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL23976292 0.92 CTSK (0.43) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL14366085 0.86 ITGB3 (0.50) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL6646260 0.86 ITGB3 (0.50) CTSKCTSSITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL27546587 0.85 ITGB3 (0.49) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL1904291 0.85 ITGB3 (0.54) CTSKCTSSITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL27546586 0.85 ITGB3 (0.49) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL31341192 0.85 CTSK (0.48) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL2324580 0.85 ITGB3 (0.54) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL8823986 0.85 ITGB3 (0.54) CTSKCTSSITGB3ITGA2BCYP1A2
SCHEMBL3732677 0.84 CTSK (0.50) CTSKCTSSITGB3ITGA2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148371-B2 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2006-12-12 US disclosed
US-7012152-B2 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2006-03-14 US disclosed
US-20060004103-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2006-01-05 US disclosed
US-20040054216-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2004-03-18 US disclosed
US-6664412-B2 Protecting amino group or amino group and carboxyl group of optically active 2-amino-6-methyl-6-nitroheptanoic acid with protecting group, reducing nitro group to synthesize 6,6-dimethyllysine and reacting this with acetic acid AJINOMOTO CO., INC. (JP) 2003-12-16 US disclosed
US-20030105351-A1 Method for producing lysine derivative AJINOMOTO CO. INC (JP) 2003-06-05 US disclosed
US-20020042537-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2002-04-11 US disclosed
EP-1179599-A2 Method for producing lysine derivative Ajinomoto Co., Inc. (JP) 2002-02-13 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 (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-20030105351-A1 Method for producing lysine derivative JMJD6, SIRT6, KDM6A CTSK 1307/4885CTSS 2101/4885ITGB3 4046/4885
US-20040054216-A1 Method for producing lysine derivative JMJD6, SIRT6, KDM6A CTSK 1307/4885CTSS 2101/4885ITGB3 4046/4885
US-20020042537-A1 Method for producing lysine derivative JMJD6, SIRT6, KDM6A CTSK 1307/4885CTSS 2101/4885ITGB3 4046/4885
US-20060004103-A1 Method for producing lysine derivative JMJD6, SIRT6, KDM6A CTSK 1307/4885CTSS 2101/4885ITGB3 4046/4885

“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.