SCHEMBL5497986

SCHEMBL5497986

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.58
MMP2 P08253 2/20 0.58
FKBP1A P62942 5/20 0.57
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGA2 P17301 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL5487316 0.81 FKBP1A (0.61) MMP9MMP2FKBP1ARAB9AITGB1
SCHEMBL12084566 0.80 ITGB1 (0.62) MMP9MMP2FKBP1AITGB1ITGA4
SCHEMBL4253026 0.80 ITGB1 (0.62) MMP9MMP2FKBP1AITGB1ITGA4
SCHEMBL27537313 0.80 FKBP1A (0.60) MMP9MMP2FKBP1ARAB9AL3MBTL1
SCHEMBL5489489 0.79 MAPK1 (0.50) MMP9FKBP1ARAB9AL3MBTL1KDM4E
SCHEMBL7070012 0.78 FKBP1A (0.59) MMP9MMP2FKBP1ARAB9AL3MBTL1
SCHEMBL7319731 0.78 ITGB1 (0.58) MMP9MMP2FKBP1ARAB9AL3MBTL1
SCHEMBL4251820 0.77 MMP2 (0.56) MMP9MMP2FKBP1AITGB1ITGA4
SCHEMBL12084433 0.77 MMP2 (0.56) MMP9MMP2FKBP1AITGB1ITGA4
SCHEMBL5491608 0.76 FKBP1A (0.49) FKBP1ARAB9AL3MBTL1KDM4EMEN1

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

“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.