SCHEMBL6452893

SCHEMBL6452893

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ITGB1 P05556 4/20 0.46
ITGB7 P26010 1/20 0.45
HCRTR1 O43613 6/20 0.44
HCRTR2 O43614 6/20 0.44
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.42
FKBP1A P62942 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL3851005 0.89 ITGA4 (0.53) ITGA4L3MBTL1ITGB1ITGB7HCRTR1
SCHEMBL6712256 0.88 ITGA4 (0.52) ITGA4L3MBTL1ITGB1ITGB7HCRTR1
SCHEMBL3851934 0.87 ITGA4 (0.41) ITGA4ITGB1ITGB7
SCHEMBL5609145 0.86 ITGA4 (0.42) ITGA4ITGB1ITGB7HCRTR1HCRTR2
SCHEMBL3849986 0.82 ITGA4 (0.49) ITGA4ITGB1ITGB7HCRTR1HCRTR2
SCHEMBL6709419 0.82 ITGA4 (0.51) ITGA4L3MBTL1ITGB1ITGB7HCRTR1
SCHEMBL3856300 0.82 ITGB1 (0.48) ITGA4ITGB1ITGB7HCRTR1HCRTR2
SCHEMBL7066750 0.82 FKBP1A (0.58) ITGA4L3MBTL1ITGB1RAB9AFKBP1A
SCHEMBL7319786 0.82 ITGA4 (0.54) ITGA4L3MBTL1ITGB1ITGB7MAPT
SCHEMBL3850647 0.81 ITGB1 (0.51) ITGA4ITGB1ITGB7HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050074451-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050074451-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ITGA4 3/4885L3MBTL1 4523/4885ITGB1 8/4885

“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.