SCHEMBL3220068

SCHEMBL3220068

CN1C(=O)c2ccccc2C(CC(=O)O)c2ccc(C(=O)NCCCCCc3ccc4c(n3)NCCC4)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.45
ITGB3 P05106 15/20 0.45
ITGB5 P18084 6/20 0.44
ITGA2B P08514 1/20 0.44
ITGB6 P18564 9/20 0.44
ITGB8 P26012 4/20 0.42

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
SCHEMBL3228383 0.99 ITGAV (0.46) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL6703675 0.87 ITGAV (0.44) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL3221473 0.75 ITGB3 (0.65) ITGAVITGB3ITGA2B
SCHEMBL3209804 0.75 ITGB3 (0.68) ITGAVITGB3ITGA2B
SCHEMBL6702670 0.74 ITGB3 (0.68) ITGAVITGB3ITGA2B
SCHEMBL7377654 0.70 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL5029883 0.70 ITGAV (0.53) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL3232755 0.69 ITGB3 (0.66) ITGAVITGB3ITGA2B
SCHEMBL6426136 0.69 ITGAV (0.71) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL5500945 0.69 ITGAV (0.67) ITGAVITGB3ITGB5ITGB6ITGB8

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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 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 (2 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 ITGAV 5/4885ITGB3 1/4885ITGB5 4/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B ITGAV 2/4885ITGB3 1/4885ITGB5 10/4885

“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.