SCHEMBL2772256

SCHEMBL2772256

CCN(CC)c1ncc([N+](=O)[O-])c(NC(Cc2ccc(O)cc2)C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.50
ITGA4 P13612 20/20 0.50
ITGB7 P26010 18/20 0.48

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
SCHEMBL2771475 0.87 ITGA4 (0.41) ITGB1ITGA4ITGB7
SCHEMBL2108815 0.87 ITGA4 (0.41) ITGB1ITGA4ITGB7
SCHEMBL5162116 0.86 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL8251348 0.81 ITGA4 (0.46) ITGB1ITGA4ITGB7
SCHEMBL8245071 0.80 ITGA4 (0.43) ITGB1ITGA4ITGB7
SCHEMBL15387619 0.79 ITGB1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL15387618 0.79 ITGB1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL15387496 0.79 ITGB1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL15387497 0.79 ITGB1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL12193526 0.79 ITGB1 (0.41) 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 24 patents — showing the first 20. 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
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
EP-1507533-B1 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARM INC (US) 2010-04-14 EP disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
US-7335663-B2 Heteroaryl compounds which inhibit leukocyte adhesion mediated by α4 integrins ELAN PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
EP-1507533-A4 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARM INC (US) 2007-05-23 EP disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
US-20050130999-A1 Heteroaryl compounds which inhibit leukocyte adhesion mediated by alpha-4 integrins BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2005-06-16 US disclosed
US-20050074451-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US disclosed
EP-1507533-A2 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS Elan Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
US-20040142954-A1 Heteroaryl compounds which inhibit leukocyte adhesion mediated by alpha4 integrins BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-07-22 US disclosed
WO-2003099231-A2 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2003-12-04 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 (6 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-20050130999-A1 Heteroaryl compounds which inhibit leukocyte adhesion mediated by alpha-4 integrins ITGB4, VCAM1, ITGA4 ITGB1 8/4885ITGA4 3/4885ITGB7 32/4885
US-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885
US-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 ITGB1 305/4885ITGA4 298/4885ITGB7 485/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ITGB1 8/4885ITGA4 3/4885ITGB7 38/4885
US-20040142954-A1 Heteroaryl compounds which inhibit leukocyte adhesion mediated by alpha4 integrins VCAM1, ITGB4, ITGA4 ITGB1 10/4885ITGA4 3/4885ITGB7 30/4885
US-20050074451-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ITGB1 8/4885ITGA4 3/4885ITGB7 38/4885

“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.