SCHEMBL21744760

SCHEMBL21744760

Cc1nc(NCC(NC(=O)O[C@@H](C)C(=O)O)C(=O)O)c(C)c(N2CCC(c3ccc4c(n3)NCCC4)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.69
ITGB6 P18564 18/20 0.69
ITGB3 P05106 3/20 0.69
ITGB1 P05556 1/20 0.69
ITGA5 P08648 1/20 0.69
ITGB5 P18084 1/20 0.69
ITGB8 P26012 1/20 0.69

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
SCHEMBL21713112 1.00 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713110 1.00 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21744208 1.00 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
Hydrochloric Acid SCHEMBL28556444 0.99 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
Hydrochloric Acid SCHEMBL28556443 0.99 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713064 0.95 ITGAV (0.66) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713062 0.95 ITGAV (0.66) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21744207 0.90 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21744205 0.90 ITGAV (0.69) ITGAVITGB6ITGB3ITGB1ITGA5
Hydrochloric Acid SCHEMBL21713036 0.90 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.