SCHEMBL8244098

SCHEMBL8244098

CCN(CC)c1ncc(N(CC)C(=O)C(C)C)c(NC(Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.87
ITGA4 P13612 20/20 0.87
ITGB7 P26010 20/20 0.87

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
SCHEMBL1413082 1.00 ITGB1 (0.87) ITGB1ITGA4ITGB7
SCHEMBL1413048 0.94 ITGB1 (0.98) ITGB1ITGA4ITGB7
SCHEMBL1413068 0.93 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL1413143 0.92 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL1413034 0.92 ITGB1 (0.87) ITGB1ITGA4ITGB7
SCHEMBL8242421 0.91 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL1413053 0.91 ITGB1 (0.90) ITGB1ITGA4ITGB7
SCHEMBL1413095 0.91 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL1413105 0.91 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL13242238 0.90 ITGB1 (0.72) ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-1940826-B1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2010-12-29 EP disclosed
US-7763632-B2 Pyrimidinyl amide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763632-B2 Pyrimidinyl amide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-20090192181-A1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192181-A1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2009-07-30 US disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
US-7511052-B2 Pyrimidinyl amide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7511052-B2 Pyrimidinyl amide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-20070142416-A1 Pyrimidinyl amide compounds with inhibit leukocyte adhesion mediated by VLA-4 Elan Pharmaceuticas, Inc. 2007-06-21 US disclosed
US-20070142416-A1 Pyrimidinyl amide compounds with inhibit leukocyte adhesion mediated by VLA-4 Elan Pharmaceuticas, Inc. 2007-06-21 US disclosed
WO-2007041270-A1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 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 (3 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-20070142416-A1 Pyrimidinyl amide compounds with inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ITGB1 78/4885ITGA4 10/4885ITGB7 570/4885
US-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885
US-20090192181-A1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 ITGB1 88/4885ITGA4 10/4885ITGB7 590/4885

“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.