SCHEMBL4649064

SCHEMBL4649064

COc1ccc(Br)c(C(=O)N[C@@H](Cc2ccc(-c3c(OC)cc(C#N)cc3OC)cc2)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.59
ITGB1 P05556 11/20 0.59
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
PIN1 Q13526 1/20 0.43
ITGB7 P26010 10/20 0.43
HPGD P15428 1/20 0.41

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
SCHEMBL4649073 1.00 ITGA4 (0.59) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4648129 0.94 ITGA4 (0.53) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4649378 0.93 ITGB1 (0.52) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4648600 0.93 ITGB1 (0.52) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4649380 0.92 ITGA4 (0.49) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4649382 0.92 ITGA4 (0.49) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4648018 0.91 ITGA4 (0.49) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4648841 0.91 ITGA4 (0.49) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4648806 0.91 ITGB1 (0.49) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL4648805 0.91 ITGB1 (0.49) ITGA4ITGB1ITGB2ICAM1ITGAL

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
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-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP claimed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 WO claimed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
EP-1964040-A2 COMPUTATIONAL AND/OR CONTROL SYSTEMS RELATED TO INDIVIDUALIZED PHARMACEUTICAL AND NUTRACEUTICAL SELECTION AND PACKAGING Searete LLC. (US) 2008-09-03 EP disclosed
WO-2007075378-A2 CONTROL SYSTEMS FOR INDIVIDUALIZED PHARMACEUTICAL AND NUTRACEUTICAL SELECTION AND PACKAGING SEARETE LLC (US) 2007-07-05 WO 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 762/4885ITGB1 198/4885ITGB2 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.