SCHEMBL13764403

SCHEMBL13764403

COC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCN(CC(=O)O)Cc1ccccn1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.41
ITGA4 P13612 19/20 0.41
ITGB7 P26010 1/20 0.40

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
SCHEMBL13764397 0.96 ITGB1 (0.40) ITGB1ITGA4ITGB7
SCHEMBL13764419 0.94 ITGB1 (0.42) ITGB1ITGA4ITGB7
SCHEMBL13764394 0.93 ITGB1 (0.43) ITGB1ITGA4ITGB7
SCHEMBL13768580 0.92 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL13764393 0.92 ITGB1 (0.43) ITGB1ITGA4ITGB7
SCHEMBL13768578 0.91 ITGB1 (0.42) ITGB1ITGA4ITGB7
SCHEMBL13764416 0.91 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL13768575 0.89 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL13764401 0.88 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL13768573 0.87 ITGB1 (0.42) 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-20090180951-A1 INHIBITORS OF INTEGRIN VLA-4 MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180951-A1 INHIBITORS OF INTEGRIN VLA-4 MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-16 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-20090180951-A1 INHIBITORS OF INTEGRIN VLA-4 ITGA1, ITGB1, ITGA4 ITGB1 2/4885ITGA4 3/4885ITGB7 14/4885

“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.