SCHEMBL4415484

SCHEMBL4415484

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N(C)CCO)cc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 4/20 0.58
ITGB1 P05556 8/20 0.54
ITGB7 P26010 1/20 0.54
ITGA5 P08648 3/20 0.53
ALDH1A1 P00352 1/20 0.49
ITGAV P06756 3/20 0.48
ITGA2 P17301 1/20 0.46
FKBP1A P62942 1/20 0.46
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
KCNQ1 P51787 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL5609312 1.00 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3857211 0.94 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3852610 0.91 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3850548 0.91 ITGA4 (0.50) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL3848910 0.90 ITGA4 (0.49) ITGA4ITGB1ITGB7ITGA5FKBP1A
SCHEMBL3851731 0.90 ITGA4 (0.55) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL13674478 0.90 ITGA4 (0.46) ITGA4ITGB1ITGB7FKBP1AGAA
SCHEMBL13671387 0.87 ITGA4 (0.57) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL6714623 0.85 ITGA4 (0.66) ITGA4ITGB1ITGB7ITGA5ALDH1A1
SCHEMBL7325150 0.85 ITGA4 (0.60) ITGA4ITGB1ITGB7ITGA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US claimed
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP disclosed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
EP-1592387-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
WO-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 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-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ITGA4 3/4885ITGB1 8/4885ITGB7 38/4885

“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.