SCHEMBL23083062

SCHEMBL23083062

COC(=O)C[C@@H]1Cc2ccc(OCCCNC3=NCCN3)cc2CN(CCOCCOCCOCCN=[N+]=[N-])C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.45
ITGAV P06756 12/20 0.45
ITGA2B P08514 6/20 0.45
ITGB5 P18084 2/20 0.34
ITGB1 P05556 1/20 0.34
CRBN Q96SW2 3/20 0.33
TTR P02766 1/20 0.33
WDR5 P61964 2/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 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
SCHEMBL23082986 0.96 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083051 0.93 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23082985 0.89 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23082988 0.89 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083186 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2BCRBNTTR
SCHEMBL23083070 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL6422434 0.84 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083114 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23082974 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL23083053 0.83 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1

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.