SCHEMBL5489489

SCHEMBL5489489

COC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.49
MMP1 P03956 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
FKBP1A P62942 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PAX8 Q06710 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL6151068 0.81 ITGB1 (0.58) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL6401233 0.81 ITGB1 (0.58) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL5489491 0.79 MAPK1 (0.48) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL5497986 0.79 MMP9 (0.58) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL8238744 0.76 MMP9 (0.47) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL7318424 0.75 ITGB1 (0.54) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL1504830 0.75 KDM4E (0.48) RAB9AGAAALDH1A1KMT2AKDM4E
SCHEMBL5495223 0.74 FKBP1A (0.54) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL5491587 0.74 FKBP1A (0.54) MAPK1TSHRRAB9AMMP1MMP9
SCHEMBL5496781 0.74 ITGA4 (0.56) MAPK1TSHRRAB9AMMP9GAA

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 MAPK1 3579/4885TSHR 4038/4885RAB9A 3523/4885

“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.