SCHEMBL6710573

SCHEMBL6710573

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.57
MAPK1 P28482 2/20 0.57
FKBP1A P62942 1/20 0.56
TSHR P16473 3/20 0.55
POLB P06746 1/20 0.55
USP2 O75604 2/20 0.54
PLAU P00749 1/20 0.54
HPN P05981 1/20 0.54
HCRTR1 O43613 3/20 0.53
HCRTR2 O43614 3/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
GLA P06280 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL6709291 0.90 GAA (0.57) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6709293 0.90 GAA (0.57) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL23222649 0.88 GAA (0.63) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6709348 0.88 GAA (0.63) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL27854853 0.85 GAA (0.61) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6710949 0.84 GAA (0.60) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6712243 0.84 ITGA4 (0.58) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6400256 0.82 GAA (0.58) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6714713 0.82 GAA (0.58) GAAHPGDL3MBTL1MAPK1FKBP1A
SCHEMBL6714791 0.82 GAA (0.58) GAAHPGDL3MBTL1MAPK1FKBP1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US disclosed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US disclosed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE 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-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 GAA 1632/4885HPGD 2947/4885L3MBTL1 448/4885

“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.