SCHEMBL6474419

SCHEMBL6474419

CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccn(C)n2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.51
ITGA4 P13612 11/20 0.51
ITGB7 P26010 1/20 0.51
ITGA5 P08648 3/20 0.47
ITGAV P06756 6/20 0.42
ITGA2 P17301 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL3850203 0.87 ITGB1 (0.50) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3848909 0.86 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3856670 0.86 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3848928 0.85 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA5
SCHEMBL3855606 0.85 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL4413756 0.84 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3852610 0.84 ITGA4 (0.61) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3855807 0.83 ITGB1 (0.56) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3848324 0.83 ITGB1 (0.57) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL3851032 0.82 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA5ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900179-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2005-05-31 US disclosed
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-19 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-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM ITGB1 64/4885ITGA4 8/4885ITGB7 296/4885

“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.