SCHEMBL5488119

SCHEMBL5488119

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
PLAU P00749 1/20 0.56
HPN P05981 1/20 0.56
ITGA4 P13612 2/20 0.55
FKBP1A P62942 1/20 0.55
ITGB1 P05556 4/20 0.54
ITGA2 P17301 1/20 0.54
ITGA5 P08648 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
USP2 O75604 1/20 0.51
RAB9A P51151 1/20 0.51
ITGAV P06756 1/20 0.51

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
SCHEMBL6714791 0.92 GAA (0.58) GAAHPGDITGA4FKBP1AITGB1
SCHEMBL6714713 0.92 GAA (0.58) GAAHPGDITGA4FKBP1AITGB1
SCHEMBL5496192 0.90 ITGA4 (0.56) GAAHPGDPLAUHPNITGA4
SCHEMBL6400256 0.89 GAA (0.58) GAAHPGDPLAUHPNITGA4
SCHEMBL6400260 0.89 GAA (0.58) GAAHPGDPLAUHPNITGA4
SCHEMBL6710949 0.89 GAA (0.60) GAAHPGDPLAUHPNITGA4
SCHEMBL6712243 0.86 ITGA4 (0.58) GAAHPGDPLAUHPNITGA4
SCHEMBL6151165 0.86 ITGA4 (0.58) GAAHPGDPLAUHPNITGA4
SCHEMBL6151162 0.86 ITGA4 (0.58) GAAHPGDPLAUHPNITGA4
SCHEMBL6709564 0.85 ITGA4 (0.57) GAAHPGDPLAUHPNITGA4

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-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US claimed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US claimed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-7288526-B2 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US disclosed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED 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-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, IL4I1 GAA 3017/4885HPGD 4521/4885PLAU 1899/4885

“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.