SCHEMBL3852610

SCHEMBL3852610

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 4/20 0.61
ITGB1 P05556 7/20 0.57
ITGB7 P26010 1/20 0.57
ITGA5 P08648 3/20 0.56
ALDH1A1 P00352 1/20 0.53
ITGAV P06756 2/20 0.51
ITGA2 P17301 1/20 0.49
FKBP1A P62942 1/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46
KCNQ1 P51787 1/20 0.46
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL3848928 0.93 ITGB1 (0.57) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3848324 0.92 ITGB1 (0.57) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3855807 0.92 ITGB1 (0.56) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3852486 0.92 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5FKBP1A
SCHEMBL3857211 0.91 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL5609312 0.91 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL4415484 0.91 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3850912 0.91 ITGB1 (0.56) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3848534 0.90 ITGA4 (0.52) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3853742 0.90 ITGB1 (0.56) ITGA4ITGB1ITGB7ITGA5ALDH1A1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576101-B2 Using sulfonamides such as N-[N-(3-pyridinesulfonyl)-L-3,3-dimethyl-4-thiaprolyl]-O-[1-methylpiperazin-4-ylcarbonyl]-L-tyrosine isopropyl ester optionally with immunoglobulins, steroids, antiinflammatory agents ELAN PHARMACEUTICALS, INC. (US) 2009-08-18 US claimed
US-7320960-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-01-22 US claimed
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP claimed
US-20050272668-A1 Anti-inflammatory compositions and methods BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2005-12-08 US claimed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP claimed
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents BIOGEN MA INC. 2005-09-29 US claimed
US-6939855-B2 Anti-inflammatory compositions and method ELAN PHARMACEUTICALS, INC. (US) 2005-09-06 US claimed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US claimed
EP-1452532-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP claimed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO claimed
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-22 US claimed
EP-0954519-B1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES INC (US) 2003-04-02 EP claimed
US-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2003-01-23 US claimed
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-19 US claimed
US-6489300-B1 INHIBITORS OF ADHESION IN THE TREATMENT OF INFLAMMATORY BRAIN DISEASES AND OTHER INFLAMMATORY CONDITIONS ELAN PHARMACEUTICALS, INC. 2002-12-03 US claimed
US-20020039745-A1 ANTI-INFLAMMATORY COMPOSITIONS AND METHOD WYETH 2002-04-04 US claimed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP claimed
EP-0954519-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-11-10 EP claimed
WO-1999006391-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-02-11 WO claimed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed

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-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM ITGA4 8/4885ITGB1 64/4885ITGB7 296/4885
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM ITGA4 8/4885ITGB1 64/4885ITGB7 296/4885
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ITGA4 6/4885ITGB1 70/4885ITGB7 194/4885
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents MAG, PMP22, GAP43 ITGA4 60/4885ITGB1 36/4885ITGB7 25/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ITGA4 3/4885ITGB1 8/4885ITGB7 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.