SCHEMBL2851546

SCHEMBL2851546

CCCC(CC)S(=O)(=O)Nc1cnc(N(CC)CC)nc1N[C@@H](Cc1ccc(OC(=O)N2CCCC2)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.68
ITGA4 P13612 20/20 0.68
ITGB7 P26010 20/20 0.68

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
SCHEMBL2845984 0.96 ITGB1 (0.71) ITGB1ITGA4ITGB7
SCHEMBL2846067 0.89 ITGB1 (0.74) ITGB1ITGA4ITGB7
SCHEMBL2846113 0.88 ITGB1 (0.71) ITGB1ITGA4ITGB7
SCHEMBL2843451 0.86 ITGB1 (0.72) ITGB1ITGA4ITGB7
SCHEMBL13810176 0.86 ITGB1 (0.77) ITGB1ITGA4ITGB7
SCHEMBL2843630 0.85 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL2846089 0.84 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL2845021 0.84 ITGB1 (0.70) ITGB1ITGA4ITGB7
SCHEMBL8250232 0.82 ITGB1 (0.77) ITGB1ITGA4ITGB7
SCHEMBL2846116 0.81 ITGB1 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820687-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-10-26 US claimed
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP claimed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US claimed
US-7579466-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO claimed
EP-1996559-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-12-03 EP claimed
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2008-03-06 US claimed
WO-2007101165-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-09-07 WO claimed
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7820687-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-7579466-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2008-03-06 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 (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-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 ITGB1 110/4885ITGA4 10/4885ITGB7 747/4885
US-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 ITGB1 110/4885ITGA4 10/4885ITGB7 747/4885

“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.