SCHEMBL2679263

SCHEMBL2679263

NC(CSCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.52
SLC15A1 P46059 2/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC1A1 P43005 4/20 0.47
SLC1A3 P43003 3/20 0.46
KIF11 P52732 6/20 0.46
IDO1 P14902 1/20 0.46
SLC1A2 P43004 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2679262 1.00 CDC25B (0.52) CDC25BSLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL7416182 0.86 CDC25B (0.50) CDC25BSLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL7382091 0.86 CDC25B (0.50) CDC25BSLC15A1ALDH1A1MAPK1L3MBTL1
Methylamine SCHEMBL27674682 0.82 CDC25B (0.47) CDC25BSLC15A1ALDH1A1MAPK1L3MBTL1
SCHEMBL11185687 0.80 PPARA (0.64) SLC1A1SLC1A3IDO1
SCHEMBL4523936 0.80 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL730848 0.80 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL5898461 0.80 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL11852932 0.79 ALDH1A1 (0.61) CDC25BALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL11714774 0.79 SLC1A1 (0.58) L3MBTL1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2013-01-24 US disclosed
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-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
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN disclosed
EP-1242365-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALISED AUXILIARY ARM OM Pharma (CH) 2002-09-25 EP disclosed
WO-2001046126-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALISED AUXILIARY ARM OM PHARMA (CH) 2001-06-28 WO disclosed
WO-2001046127-A1 ACYL PSEUDOPEPTIDES BEARING A FUNCTIONALISED AUXILIARY SPACER OM PHARMA (CH) 2001-06-28 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 (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 CDC25B 4694/4885SLC15A1 766/4885ALDH1A1 3553/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 CDC25B 4105/4885SLC15A1 1023/4885ALDH1A1 4311/4885
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 CDC25B 4722/4885SLC15A1 1734/4885ALDH1A1 4136/4885
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, ENPEP, DNPEP CDC25B 4768/4885SLC15A1 1597/4885ALDH1A1 4225/4885

“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.