SCHEMBL5207230

SCHEMBL5207230

CCOC(=O)[C@@H](N)Cc1ccc(O)c(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 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
SCHEMBL27544345 1.00 SLC7A5 (0.48) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL5108519 0.87 ALDH1A1 (0.51) SLC7A5KDM4EUSP2EGFRLCK
Etilevodopa SCHEMBL1069939 0.87 ALOX15 (0.64) SLC7A5KDM4EUSP2EGFRLCK
Etilevodopa SCHEMBL29634876 0.87 ALOX15 (0.64) SLC7A5KDM4EUSP2EGFRLCK
Etilevodopa SCHEMBL584493 0.87 ALOX15 (0.64) SLC7A5KDM4EUSP2EGFRLCK
Hydrochloric Acid SCHEMBL5108514 0.86 ALDH1A1 (0.53) SLC7A5KDM4EUSP2EGFRLCK
Etilevodopa SCHEMBL7291700 0.85 ALOX15 (0.62) SLC7A5KDM4EUSP2EGFRLCK
Etilevodopa SCHEMBL28278862 0.85 ALOX15 (0.62) SLC7A5KDM4EUSP2EGFRLCK
Etilevodopa SCHEMBL7063390 0.85 ALOX15 (0.62) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL30665444 0.84 SLC7A5 (0.49) SLC7A5KDM4EUSP2EGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
CN-1301964-C Inhibitors of alpha 4-mediated cell adhesion TANABE SEIYAKU CO (JP) 2007-02-28 CN disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 US disclosed
CN-1150189-C Benzopyrone and chromanone derivatives as integrin inhibitors Ĭ��ר���ɷ����޹�˾ 2004-05-19 CN disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
EP-1124824-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2001-08-22 EP disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN disclosed
WO-2000026212-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2000-05-11 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 SLC7A5 1025/4885KDM4E 1736/4885USP2 3674/4885

“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.