SCHEMBL7069740

SCHEMBL7069740

Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
ITGB1 P05556 6/20 0.68
ITGA5 P08648 3/20 0.68
ITGA4 P13612 4/20 0.66
FKBP1A P62942 3/20 0.64
ITGA2 P17301 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.56
ITGAV P06756 1/20 0.56
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
ITGB7 P26010 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL6710892 1.00 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL6439213 1.00 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL27514023 1.00 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL7066469 1.00 ALDH1A1 (0.70) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL7069752 0.97 ALDH1A1 (0.69) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
Methoxyamine SCHEMBL7553842 0.95 ITGB1 (0.65) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL7314347 0.95 ITGB1 (0.67) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL2879401 0.93 ITGB1 (0.77) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL2879404 0.93 ITGB1 (0.77) ALDH1A1ITGB1ITGA5ITGA4FKBP1A
SCHEMBL2879402 0.93 ITGB1 (0.77) ALDH1A1ITGB1ITGA5ITGA4FKBP1A

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 ALDH1A1 369/4885ITGB1 35/4885ITGA5 160/4885

“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.