SCHEMBL21713124

SCHEMBL21713124

COC(=O)COC(=O)N[C@@H](CNc1nc(C)nc(N2CCC(c3ccc4c(n3)NCCC4)CC2)c1C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.70
ITGB6 P18564 18/20 0.70
ITGB3 P05106 3/20 0.70
ITGB1 P05556 1/20 0.70
ITGA5 P08648 1/20 0.70
ITGB5 P18084 1/20 0.70
ITGB8 P26012 1/20 0.70

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
SCHEMBL21713127 1.00 ITGAV (0.70) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21744205 0.94 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21744207 0.94 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
Hydrochloric Acid SCHEMBL21713036 0.94 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
Hydrochloric Acid SCHEMBL21713035 0.94 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713029 0.94 ITGAV (0.65) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713033 0.94 ITGAV (0.65) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713043 0.93 ITGAV (0.68) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL6879730 0.93 ITGAV (0.68) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL5584546 0.91 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805284-A Integrin antagonists 奥克斯润有限责任公司 2021-05-14 CN disclosed
US-10703752-B2 Integrin antagonists Oxurion NV (BE) 2020-07-07 US disclosed
US-20200055849-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-20 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-10703752-B2 Integrin antagonists ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB6 17/4885ITGB3 11/4885
US-20200055849-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 ITGAV 5/4885ITGB6 17/4885ITGB3 11/4885

“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.