SCHEMBL22009197

SCHEMBL22009197

O=C(O)[C@H](c1cccc(OC(=O)[C@@H](c2ccccc2)N2CC(CN3CCC(Cc4ccc5c(n4)NCCC5)CC3)C2)c1)N1CC(CN2CCC(Cc3ccc4c(n3)NCCC4)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGAV P06756 20/20 0.48
ITGB5 P18084 19/20 0.48
ITGB1 P05556 12/20 0.48
ITGB6 P18564 12/20 0.48
ITGB8 P26012 11/20 0.48
KCNH2 Q12809 6/20 0.47

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
SCHEMBL20481216 0.90 ITGAV (0.53) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL22008992 0.90 ITGAV (0.53) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL22008997 0.90 ITGAV (0.53) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL23788752 0.87 ITGAV (0.42) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL22008596 0.79 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL20481219 0.79 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL22008586 0.79 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL20480966 0.77 ITGAV (0.51) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL22008551 0.77 ITGAV (0.51) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL22008552 0.77 ITGAV (0.51) ITGB3ITGAVITGB5ITGB1ITGB6

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-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-05-21 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-20200157075-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ITGB3 11/4885ITGAV 3/4885ITGB5 15/4885

“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.