SCHEMBL4648600

SCHEMBL4648600

CCOc1ccc(Br)c(C(=O)N[C@@H](Cc2ccc(-c3c(OC)cc(C#N)cc3OC)cc2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.52
ITGA4 P13612 12/20 0.52
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
SUCNR1 Q9BXA5 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
ITGB7 P26010 7/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
PIN1 Q13526 1/20 0.40
CA2 P00918 1/20 0.39
PTPN1 P18031 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
SCHEMBL4649378 1.00 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
Tetrahydrofuran SCHEMBL4648660 0.94 ITGB1 (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649444 0.93 GAA (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649446 0.93 GAA (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649073 0.93 ITGA4 (0.59) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649064 0.93 ITGA4 (0.59) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648129 0.91 ITGA4 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649380 0.89 ITGA4 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649382 0.89 ITGA4 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648841 0.88 ITGA4 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL

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 14 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 claimed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US claimed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
EP-1959732-A2 LIQUID FORMULATIONS CONTAINING DIALKYL SULFOSUCCINATE AND HYDROXYPHENYLPYRUVATE DIOXYGENASE INHIBITORS Bayer CropScience AG (DE) 2008-08-27 EP disclosed
WO-2007062748-A2 LIQUID FORMULATIONS CONTAINING DIALKYL SULFOSUCCINATE AND HYDROXYPHENYLPYRUVATE DIOXYGENASE INHIBITORS BAYER CROPSCIENCE AG (DE) 2007-06-07 WO disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US 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
WO-2002080680-A2 SYNERGISTIC ACTIVE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2002-10-17 WO disclosed
WO-2001043546-A2 COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-06-21 WO disclosed
EP-1104239-A1 HERBICIDES WITH ACYLATED AMINOPHENYLSULFONYL UREA Aventis CropScience GmbH (DE) 2001-06-06 EP disclosed
WO-2000008932-A1 HERBICIDES WITH ACYLATED AMINOPHENYLSULFONYL UREA AVENTIS CROPSCIENCE GMBH (DE) 2000-02-24 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 ITGB1 198/4885ITGA4 762/4885ITGB2 167/4885

“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.