SCHEMBL5245865

SCHEMBL5245865

Cc1ncc([C@H](CC(=O)O)CC(F)(F)CCCCc2ccc3c(n2)NCCCC3)cn1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.72
ITGB3 P05106 9/20 0.72
ITGB6 P18564 12/20 0.64
ITGB8 P26012 11/20 0.64
ITGA2B P08514 2/20 0.56
ITGB5 P18084 1/20 0.56

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
SCHEMBL5246943 1.00 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5246415 1.00 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5246207 0.97 ITGAV (0.75) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5248734 0.97 ITGAV (0.75) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5251152 0.97 ITGAV (0.75) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5250688 0.91 ITGAV (0.73) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5249585 0.91 ITGAV (0.73) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5249630 0.91 ITGAV (0.73) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5249257 0.91 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8
SCHEMBL5251587 0.91 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8

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 12 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 claimed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 US claimed
EP-1315501-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-03-23 EP claimed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 US claimed
EP-1315501-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-06-04 EP claimed
WO-2002007730-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-01-31 WO claimed
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
EP-1315501-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-03-23 EP disclosed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 US disclosed
EP-1315501-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
WO-2002007730-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-01-31 WO 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 1/4885ITGB3 3/4885ITGB6 19/4885

“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.