SCHEMBL6709261

SCHEMBL6709261

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ITGB1 P05556 6/20 0.47
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
FKBP1A P62942 2/20 0.44
ITGA5 P08648 2/20 0.44
ITGB7 P26010 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6709419 0.91 ITGA4 (0.51) ITGA4L3MBTL1ITGB1HCRTR1HCRTR2
SCHEMBL6712256 0.90 ITGA4 (0.52) ITGA4L3MBTL1ITGB1HCRTR1HCRTR2
SCHEMBL7383363 0.88 ITGA4 (0.59) ITGA4L3MBTL1ITGB1HCRTR1HCRTR2
SCHEMBL6712483 0.88 ITGA4 (0.57) ITGA4L3MBTL1ITGB1MAPTGAA
SCHEMBL7071151 0.86 ITGA4 (0.58) ITGA4L3MBTL1ITGB1GAAHPGD
SCHEMBL7314087 0.85 ITGA4 (0.57) ITGA4L3MBTL1ITGB1GAAHPGD
SCHEMBL5690673 0.85 ITGA4 (0.65) ITGA4L3MBTL1ITGB1MAPTGAA
SCHEMBL3855640 0.83 ITGA4 (0.52) ITGA4ITGB1HCRTR1HCRTR2MAPT
SCHEMBL3857921 0.83 ITGA4 (0.54) ITGA4ITGB1MAPTGAAHPGD
SCHEMBL7377415 0.83 ITGA4 (0.57) ITGA4L3MBTL1ITGB1HCRTR1HCRTR2

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 4 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
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

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 ITGA4 9/4885L3MBTL1 448/4885ITGB1 32/4885

“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.