SCHEMBL5566433

SCHEMBL5566433

CC(C)(C)OC(=O)CO[C@@H]1C[C@@H](CN(C(=O)OC(C)(C)C)c2ccccn2)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.43
ITGA5 P08648 14/20 0.43
ITGB3 P05106 9/20 0.43
ITGAV P06756 9/20 0.43
ITGB5 P18084 7/20 0.43
ITGA2B P08514 4/20 0.43
ABCB1 P08183 1/20 0.42
POLB P06746 1/20 0.37
PARP1 P09874 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
SCHEMBL5568643 0.86 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5565780 0.86 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5568305 0.86 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL14453497 0.86 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5565775 0.86 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5561213 0.81 ABCB1 (0.49) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL8288105 0.81 PREP (0.42) POLBPARP1
SCHEMBL14453495 0.80 ITGB1 (0.56) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL15152613 0.79 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL5566425 0.79 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5

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-1727811-B1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF SHIRE ORPHAN THERAPIES GMBH (DE) 2014-11-12 EP disclosed
US-8501787-B2 Compounds for the inhibition of angiogenesis and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2013-08-06 US disclosed
US-8501787-B2 Compounds for the inhibition of angiogenesis and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2013-08-06 US disclosed
US-8501787-B2 Compounds for the inhibition of angiogenesis and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2013-08-06 US disclosed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US disclosed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US disclosed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US disclosed
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO disclosed
EP-1727811-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF Jerini AG (DE) 2006-12-06 EP disclosed
WO-2005090329-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2005-09-29 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-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof ITGAV, VCAM1, ITGA5 ITGB1 9/4885ITGA5 3/4885ITGB3 6/4885

“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.