SCHEMBL6344910

SCHEMBL6344910

Cc1ccccc1NC(=O)Nc1ccc(NC(=O)CC(CC(C)C)C(=O)NC(C)CC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.57
ITGA4 P13612 18/20 0.57
ANPEP P15144 1/20 0.48

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
SCHEMBL6343533 0.90 MAPT (0.48) ITGB1ITGA4ANPEP
SCHEMBL6345159 0.87 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL6794878 0.84 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL6343091 0.83 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL7466957 0.82 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL6343632 0.81 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL6344106 0.81 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL6344990 0.80 RAB9A (0.54) ITGB1ITGA4
SCHEMBL6344005 0.77 LMNA (0.52) ITGB1ITGA4
SCHEMBL6340867 0.76 ITGB1 (0.58) ITGB1ITGA4

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-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US claimed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US claimed

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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ITGB1 11/4885ITGA4 37/4885ANPEP 1729/4885

“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.