SCHEMBL2691897

SCHEMBL2691897

CCCCOC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.67
SIRT1 Q96EB6 7/20 0.67
FOLH1 Q04609 3/20 0.62
CTSL P07711 1/20 0.60
CTSS P25774 1/20 0.60
TGM2 P21980 1/20 0.58
ITGB3 P05106 2/20 0.58
ITGAV P06756 2/20 0.58
SIRT3 Q9NTG7 4/20 0.57
CAPN1 P07384 1/20 0.55
CAPN2 P17655 1/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55

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
SCHEMBL209612 0.97 SIRT2 (0.71) SIRT2SIRT1FOLH1CTSLCTSS
SCHEMBL4173691 0.91 FOLH1 (0.72) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL11875673 0.91 FOLH1 (0.72) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL4173693 0.91 FOLH1 (0.72) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL14357907 0.89 SIRT2 (0.72) SIRT2SIRT1FOLH1CTSLCTSS
SCHEMBL806151 0.87 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL464715 0.87 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL4561005 0.87 FOLH1 (0.78) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL4126228 0.87 CTSL (0.72) SIRT2SIRT1FOLH1CTSLCTSS
SCHEMBL11332452 0.87 CTSL (0.72) SIRT2SIRT1FOLH1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173133-B2 Acyl pseudodipeptides which carry a functionalized auxiliary arm OM PHARMA (CH) 2012-05-08 US disclosed
US-7799762-B2 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2010-09-21 US disclosed
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2010-08-26 US disclosed
US-7157092-B1 Acyl pseudodipeptides, preparation method and pharmaceutical compositions containing same OM PHARMA (CH) 2007-01-02 US disclosed
US-20060148678-A1 Novel acyl-dipeptide-like compounds, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA 2006-07-06 US disclosed
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA (CH) 2005-09-01 US disclosed
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2003-10-30 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 (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-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products PIGS, AADAT, CD74 SIRT2 2044/4885SIRT1 3319/4885FOLH1 460/4885
US-20060148678-A1 Novel acyl-dipeptide-like compounds, a method for preparing the same and pharmaceutical compositions containing such products PTMS, DNPEP, QPCT SIRT2 3137/4885SIRT1 3084/4885FOLH1 412/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 SIRT2 1815/4885SIRT1 3539/4885FOLH1 825/4885
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 SIRT2 2392/4885SIRT1 3914/4885FOLH1 900/4885

“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.