SCHEMBL2608692

SCHEMBL2608692

CCN(CC)c1ncc(N)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)OC(C)(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.64
ITGA4 P13612 20/20 0.64
ITGB7 P26010 20/20 0.64

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
SCHEMBL13109141 0.90 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL2844237 0.90 ITGB1 (0.64) ITGB1ITGA4ITGB7
SCHEMBL1413115 0.90 ITGB1 (0.64) ITGB1ITGA4ITGB7
SCHEMBL1413078 0.89 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL8235084 0.89 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL12344162 0.89 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL2608697 0.88 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL2608694 0.88 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL2847610 0.88 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL2608714 0.87 ITGB1 (0.58) 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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367688-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367688-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
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
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8158642-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158642-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
EP-1940827-B1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2011-03-16 EP 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-7820687-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-10-26 US 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-20050119290-A1 N-(2-[N',N'-diethylamino]-5-[N''-(4-fluorophenylsulfonyl)-N''-propargylamino]pyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine; antiinflammatory, antiarthritic agents ELAN PHARMACEUTICALS, INC. 2005-06-02 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
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO 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-20040138243-A1 Heterocyclic compounds which inhibit leukocyte adhesion mediated by alpha4integrins WYETH 2004-07-15 US disclosed
WO-2003099809-A1 HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY α4 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 (5 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-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-20050119290-A1 N-(2-[N',N'-diethylamino]-5-[N''-(4-fluorophenylsulfonyl)-N''-propargylamino]pyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine; antiinflammatory, antiarthritic agents VCAM1, ICAM1, ITGB4 ITGB1 28/4885ITGA4 5/4885ITGB7 137/4885
US-20040138243-A1 Heterocyclic compounds which inhibit leukocyte adhesion mediated by alpha4integrins VCAM1, ICAM1, ITGB4 ITGB1 15/4885ITGA4 4/4885ITGB7 49/4885
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.