SCHEMBL23083073

SCHEMBL23083073

COC(=O)C[C@@H]1Cc2ccc(OCCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2CN(CCOCCOCCOCCN=[N+]=[N-])C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
ITGA2B P08514 4/20 0.38
HDAC8 Q9BY41 3/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CRBN Q96SW2 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL23083070 0.92 ITGB3 (0.41) ITGB3ITGAVITGA2BHDAC8CA12
SCHEMBL23083114 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BCRBNABCG2
SCHEMBL23083186 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2BCRBNABCG2
SCHEMBL23082988 0.81 ITGB3 (0.50) ITGB3ITGAVITGA2BCRBNABCG2
SCHEMBL23083062 0.79 ITGB3 (0.45) ITGB3ITGAVITGA2BCRBN
SCHEMBL23083052 0.78 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL23082986 0.78 ITGB3 (0.44) ITGB3ITGAVITGA2BCRBN
SCHEMBL23083164 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BCRBNABCG2
SCHEMBL23083060 0.78 ESR1 (0.34) ITGB3ITGAVITGA2BCRBNABCG2
SCHEMBL23082997 0.77 OPRM1 (0.34) ITGB3ITGAVITGA2BCRBN

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-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 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-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 ITGB3 4/4885ITGAV 1/4885ITGA2B 7/4885

“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.