SCHEMBL4648805

SCHEMBL4648805

CCOC(=O)[C@H](Cc1ccc(-c2c(OC)cc(C#N)cc2OC)cc1)NC(=O)c1cc(OC)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.49
ITGA4 P13612 3/20 0.49
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
CAPN1 P07384 1/20 0.37
PIN1 Q13526 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CTSG P08311 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL4648806 1.00 ITGB1 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649444 0.91 GAA (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649446 0.91 GAA (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649073 0.91 ITGA4 (0.59) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649064 0.91 ITGA4 (0.59) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648600 0.87 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4649378 0.87 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL5706009 0.86 ITGB1 (0.45) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648129 0.85 ITGA4 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4648018 0.83 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 2 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

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.