SCHEMBL5487316

SCHEMBL5487316

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.61
MMP2 P08253 5/20 0.55
MMP9 P14780 5/20 0.55
ITGA4 P13612 2/20 0.54
ITGB1 P05556 1/20 0.54
ITGA2 P17301 1/20 0.54
FOLH1 Q04609 2/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP13 P45452 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
RAB9A P51151 1/20 0.49
TGM2 P21980 1/20 0.49

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
SCHEMBL5496765 0.89 FKBP1A (0.57) FKBP1AMMP2MMP9ITGA4ITGB1
SCHEMBL5494189 0.87 FKBP1A (0.67) FKBP1AITGA4ITGB1ITGA2RAB9A
SCHEMBL5489454 0.87 FKBP1A (0.52) FKBP1AITGA4ITGB1ITGA2RAB9A
SCHEMBL5491587 0.86 FKBP1A (0.54) FKBP1AMMP2MMP9ITGA4ITGB1
SCHEMBL5495223 0.86 FKBP1A (0.54) FKBP1AMMP2MMP9ITGA4ITGB1
SCHEMBL7319731 0.86 ITGB1 (0.58) FKBP1AMMP2MMP9ITGA4ITGB1
SCHEMBL5495567 0.85 FKBP1A (0.59) FKBP1AITGA4ITGB1ITGA2FOLH1
SCHEMBL5497980 0.84 FKBP1A (0.58) FKBP1AITGA4ITGB1ITGA2RAB9A
SCHEMBL4253026 0.83 ITGB1 (0.62) FKBP1AMMP2MMP9ITGA4ITGB1
SCHEMBL12084566 0.83 ITGB1 (0.62) FKBP1AMMP2MMP9ITGA4ITGB1

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 7 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
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 FKBP1A 4722/4885MMP2 951/4885MMP9 1231/4885

“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.