SCHEMBL23083048

SCHEMBL23083048

COc1ccnc(NCCCOc2ccc3c(c2)CNC(=O)[C@H](CC(=O)O)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.58
ITGAV P06756 14/20 0.58
ITGA2B P08514 5/20 0.58
ITGB1 P05556 5/20 0.56
ITGB5 P18084 2/20 0.56
ITGA5 P08648 3/20 0.45
ITGB6 P18564 1/20 0.45
PPARD Q03181 4/20 0.45
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL6418152 1.00 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418000 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419482 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6417981 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419266 0.87 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419319 0.84 PPARD (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6423850 0.84 PPARD (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419323 0.84 PPARD (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6420150 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418931 0.84 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5

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.