SCHEMBL5497980

SCHEMBL5497980

CCNC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.58
ITGA4 P13612 2/20 0.55
ITGB1 P05556 2/20 0.55
ITGA2 P17301 1/20 0.55
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
ITGA5 P08648 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5494189 0.93 FKBP1A (0.67) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL5495567 0.90 FKBP1A (0.59) FKBP1AITGA4ITGB1ITGA2L3MBTL1
SCHEMBL5496177 0.86 FKBP1A (0.56) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL5491587 0.86 FKBP1A (0.54) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL5495223 0.86 FKBP1A (0.54) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL5492630 0.86 HCRTR1 (0.54) FKBP1AGAAL3MBTL1TSHRSMN1; SMN2
SCHEMBL6712279 0.86 ITGB1 (0.55) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL6151162 0.86 ITGA4 (0.58) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL6151165 0.86 ITGA4 (0.58) FKBP1AITGA4ITGB1ITGA2GAA
SCHEMBL5492997 0.85 FKBP1A (0.57) FKBP1AITGA4ITGB1ITGA2GAA

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 FKBP1A 4722/4885ITGA4 23/4885ITGB1 169/4885

“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.