SCHEMBL5858089

SCHEMBL5858089

O=C(CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccc(O)c1)OC(=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.68
ITGB3 P05106 18/20 0.68
ITGA2B P08514 18/20 0.68
ITGB6 P18564 10/20 0.68
ITGB5 P18084 5/20 0.68
ITGB1 P05556 3/20 0.60
ITGB8 P26012 2/20 0.48

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
SCHEMBL5857772 0.93 ITGB3 (0.79) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2837768 0.93 ITGAV (0.68) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL5856660 0.93 ITGAV (0.68) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL5859346 0.92 ITGB3 (0.78) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL5857007 0.91 ITGB3 (0.66) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2836463 0.91 ITGAV (0.67) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2834559 0.90 ITGB3 (0.69) ITGAVITGB3ITGA2BITGB6ITGB5
Trifluoroacetic Acid SCHEMBL5858080 0.90 ITGAV (0.80) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2871983 0.89 ITGAV (0.62) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2836417 0.89 ITGAV (0.63) ITGAVITGB3ITGA2BITGB6ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (2 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ITGAV 3/4885ITGB3 5/4885ITGA2B 2/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ITGAV 13/4885ITGB3 5/4885ITGA2B 3/4885

“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.