SCHEMBL7053196

SCHEMBL7053196

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)CC(C)C[C@H](N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.57
ITGA4 P13612 18/20 0.57
DDX3X O00571 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46

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
SCHEMBL6033432 0.79 SLC1A1 (0.51) SLC1A3SLC1A2SLC1A1
SCHEMBL18472821 0.77 ITGB1 (0.58) ITGB1ITGA4DDX3X
SCHEMBL29612679 0.77 ITGB1 (0.67) ITGB1ITGA4DDX3X
SCHEMBL3485567 0.77 ITGB1 (0.67) ITGB1ITGA4DDX3X
SCHEMBL29179632 0.76 RAB9A (0.50) ITGB1SLC1A3SLC1A2SLC1A1
SCHEMBL14754438 0.76 ITGB1 (0.63) ITGB1ITGA4DDX3X
SCHEMBL20808405 0.76 ITGB1 (0.59) ITGB1ITGA4DDX3X
SCHEMBL8236504 0.75 ITGB1 (0.56) ITGB1ITGA4DDX3X
SCHEMBL14528371 0.75 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL7053184 0.74 ITGB1 (0.69) 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-20030232868-A1 Cyclic carboxylic acids as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
WO-2001058871-A1 PIPERIDYL CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-16 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-20030232868-A1 Cyclic carboxylic acids as integrin antagonists ITGA1, ITGB1, ITGA2B ITGB1 2/4885ITGA4 17/4885DDX3X 4859/4885

“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.