SCHEMBL4649458

SCHEMBL4649458

CCOC(=O)C(Cc1ccc(-c2c(OC)cc(C=NO)cc2OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
SCN9A Q15858 1/20 0.43
CTSS P25774 4/20 0.42
CTSK P43235 4/20 0.42
KLK5 Q9Y337 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TACR1 P25103 2/20 0.39
ACE P12821 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL4649451 1.00 ITGA4 (0.48) ITGA4ITGB7SCN9ACTSSCTSK
SCHEMBL4649453 1.00 ITGA4 (0.48) ITGA4ITGB7SCN9ACTSSCTSK
SCHEMBL4648158 0.94 ITGA4 (0.50) ITGA4ITGB7CTSSCTSKKLK5
SCHEMBL4648153 0.94 ITGA4 (0.50) ITGA4ITGB7CTSSCTSKKLK5
SCHEMBL4648164 0.94 ITGA4 (0.50) ITGA4ITGB7CTSSCTSKKLK5
SCHEMBL919218 0.86 ITGA4 (0.52) ITGA4ITGB7SCN9ACTSSCTSK
SCHEMBL1021219 0.84 ITGA4 (0.50) ITGA4ITGB7SCN9ACTSSCTSK
SCHEMBL918852 0.84 ITGA4 (0.51) ITGA4ITGB7SCN9ACTSSCTSK
SCHEMBL4648922 0.83 ITGA4 (0.52) ITGA4ITGB7CTSSCTSKKLK5
SCHEMBL4648927 0.83 ITGA4 (0.52) ITGA4ITGB7CTSSCTSKKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM ITGA4 762/4885ITGB7 709/4885SCN9A 3770/4885

“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.