SCHEMBL7069672

SCHEMBL7069672

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.64
ITGA5 P08648 2/20 0.64
FKBP1A P62942 5/20 0.57
ITGA4 P13612 4/20 0.54
ITGA2 P17301 1/20 0.54
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CCR4 P51679 1/20 0.51
ITGB7 P26010 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL23519459 0.94 ITGB1 (0.62) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL23519456 0.94 ITGB1 (0.62) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL18349149 0.93 ITGB1 (0.64) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL7071221 0.90 ITGB1 (0.56) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL18349158 0.90 ITGB1 (0.58) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL7126728 0.90 ITGB1 (0.58) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL2879401 0.89 ITGB1 (0.77) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL27877728 0.89 ITGB1 (0.77) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL2879404 0.89 ITGB1 (0.77) ITGB1ITGA5FKBP1AITGA4ITGA2
SCHEMBL2879402 0.89 ITGB1 (0.77) ITGB1ITGA5FKBP1AITGA4ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US claimed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US claimed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US disclosed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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 (1 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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ITGB1 35/4885ITGA5 160/4885FKBP1A 4543/4885

“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.