SCHEMBL5250562

SCHEMBL5250562

O=C(O)C[C@@H](CC(F)(F)CCCCc1ccc2c(n1)NCCC2)c1ccc2ccoc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.57
ITGB6 P18564 16/20 0.57
ITGB8 P26012 11/20 0.57
ITGB3 P05106 10/20 0.56
ITGA2B P08514 5/20 0.52
ITGB1 P05556 1/20 0.52
ITGB5 P18084 2/20 0.51

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
SCHEMBL5250496 1.00 ITGAV (0.57) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL5250493 1.00 ITGAV (0.57) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL7446392 0.86 ITGAV (0.59) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL7441107 0.86 ITGAV (0.59) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL7446275 0.86 ITGAV (0.59) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL5246837 0.85 ITGAV (0.77) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL5247025 0.85 ITGAV (0.77) ITGAVITGB6ITGB8ITGB3ITGA2B
SCHEMBL5250051 0.83 ITGAV (0.75) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5247425 0.83 ITGAV (0.75) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5248140 0.83 ITGAV (0.75) ITGAVITGB6ITGB8ITGB3ITGB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 EP disclosed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 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-20040038963-A1 Alpha v integrin receptor antagonists ITGAV, ADGRE5, ITGB3 ITGAV 1/4885ITGB6 19/4885ITGB8 28/4885

“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.