SCHEMBL6426684

SCHEMBL6426684

O=C(O)CC(c1cnc2ccccc2c1)c1coc2cc(-c3ccc4c(n3)NCCC4)ccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.55
ITGB3 P05106 16/20 0.55
ITGA2B P08514 6/20 0.49
ITGB5 P18084 3/20 0.48
ITGB6 P18564 4/20 0.44
ITGB8 P26012 4/20 0.44

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
SCHEMBL5734872 0.85 ITGB3 (0.64) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6371795 0.74 ITGB3 (0.56) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5746865 0.72 ITGB3 (0.63) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5736678 0.72 ITGB3 (0.64) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421564 0.71 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6359531 0.71 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421303 0.71 ITGAV (1.00) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421097 0.69 ITGAV (0.79) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7448931 0.68 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL6421874 0.68 ITGAV (0.85) ITGAVITGB3ITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-07-28 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-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists ITGB5, ITGAV, ITGB1 ITGAV 2/4885ITGB3 4/4885ITGA2B 16/4885

“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.