SCHEMBL5857262

SCHEMBL5857262

O=C(O)CC(Cn1cc(C=CCc2ccc3c(n2)NCCC3)cn1)c1ccc2c(c1)OCC2

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGAV P06756 20/20 0.60
ITGB6 P18564 10/20 0.56
ITGA2B P08514 6/20 0.56
ITGB1 P05556 2/20 0.56
ITGB5 P18084 5/20 0.46

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
SCHEMBL5857261 1.00 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL2839215 0.91 ITGB3 (0.56) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL2839214 0.91 ITGB3 (0.56) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL2832451 0.87 ITGB3 (0.52) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL2832449 0.87 ITGB3 (0.52) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL5858116 0.87 ITGB3 (0.54) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL5858121 0.87 ITGB3 (0.54) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL5858107 0.87 ITGB3 (0.54) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL5857826 0.85 ITGAV (0.59) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL5857824 0.85 ITGAV (0.59) ITGB3ITGAVITGB6ITGA2BITGB1

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 ITGB3 5/4885ITGAV 3/4885ITGB6 6/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ITGB3 5/4885ITGAV 13/4885ITGB6 12/4885

“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.